Products for Research Use Only

MFCD28987368

CAT: 0013-GTR19167009-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167009-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MFCD28987368 is a cleavable linker designed for constructing antibody-drug conjugates (ADCs) . Its degradable nature facilitates targeted payload release, making it a key tool for ADC development in oncology research, applicable in both in vitro cytotoxicity assays and in vivo therapeutic studies.
CAS Number
1610413-97-2
Product Name Alternative
Inhibitor, MFCD 28987368, MFCD28987368, MFCD-28987368, inhibit, ADCLinker, ADC Linkers, ADC Linker, Antibody-drug conjugates linkers
Purity
95.15% (May vary between batches)
Solubility
DMSO:60 mg/mL (88.39 mM)
Smiles
CC (C) (C) OC (=O) CC[C@H] (NC (=O) N[C@@H] (CCCCNC (=O) NCc1ccc (CC (O) =O) cc1) C (=O) OC (C) (C) C) C (=O) OC (C) (C) C
Molecular Formula
C34H54N4O10
Molecular Weight
678.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(4-((9S,13S)-9,13-Bis(tert-butoxycarbonyl)-18,18-dimethyl-3,11,16-trioxo-17-oxa-2,4,10,12-tetraazanonadecyl)phenyl)acetic acid
CAS Number1610413-97-2
PubChem CID118460066
IUPAC Name2-[4-[[[(5S)-5-[[(2S)-1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoylamino]-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]carbamoylamino]methyl]phenyl]acetic acid
Molecular FormulaC34H54N4O10
Molecular Weight678.8
XLogP3.6
Topological Polar Surface Area198
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count22
Heavy Atom Count48
Formal Charge0
Complexity1080
SMILES
CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)N[C@@H](CCCCNC(=O)NCC1=CC=C(C=C1)CC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C34H54N4O10/c1-32(2,3)46-27(41)18-17-25(29(43)48-34(7,8)9)38-31(45)37-24(28(42)47-33(4,5)6)12-10-11-19-35-30(44)36-21-23-15-13-22(14-16-23)20-26(39)40/h13-16,24-25H,10-12,17-21H2,1-9H3,(H,39,40)(H2,35,36,44)(H2,37,38,45)/t24-,25-/m0/s1
InChIKey
IMNLHBFYVLUOKM-DQEYMECFSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-((9S,13S)-9,13-Bis(tert-butoxycarbonyl)-18,18-dimethyl-3,11,16-trioxo-17-oxa-2,4,10,12-tetraazanonadecyl)phenyl)acetic acid
CAS: 1610413-97-2
CID: 118460066
Formula: C34H54N4O10
MW: 678.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight678.8
XLogP33.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count22
Exact Mass678.38399393
Monoisotopic Mass678.38399393
Topological Polar Surface Area198 Ų
Heavy Atom Count48
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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