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ND-646

CAT: 0013-GTR19164500-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164500-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ND-646
CAS Number
1434639-57-2
Product Name Alternative
Inhibitor, inhibit, ND 646, ND646, ND-646, AcetylCoACarboxylase, AcetylCoA Carboxylase, Acetyl-CoA Carboxylase, ACC, Acetyl Coenzyme A Carboxylase, ACC
Field of Research
Metabolism Research
Purity
98.64% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (5.8 mM) ; DMSO:95 mg/mL (167.07 mM)
Smiles
COc1ccccc1[C@H] (Cn1c2sc (c (C) c2c (=O) n (c1=O) C (C) (C) C (N) =O) -c1ncco1) OC1CCOCC1
Molecular Formula
C28H32N4O7S
Molecular Weight
568.64
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

2-[1-[(2~{r})-2-(2-Methoxyphenyl)-2-(Oxan-4-Yloxy)ethyl]-5-Methyl-6-(1,3-Oxazol-2-Yl)-2,4-Bis(Oxidanylidene)thieno[2,3-D]pyrimidin-3-Yl]-2-Methyl-Propanamide
CAS Number1434639-57-2
PubChem CID71570560
IUPAC Name2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide
Molecular FormulaC28H32N4O7S
Molecular Weight568.6
XLogP2.6
Topological Polar Surface Area166
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity948
SMILES
CC1=C(SC2=C1C(=O)N(C(=O)N2C[C@@H](C3=CC=CC=C3OC)OC4CCOCC4)C(C)(C)C(=O)N)C5=NC=CO5
InChI
InChI=1S/C28H32N4O7S/c1-16-21-24(33)32(28(2,3)26(29)34)27(35)31(25(21)40-22(16)23-30-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H2,29,34)/t20-/m0/s1
InChIKey
HSRWXLIYNCKHRZ-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of 2-[1-[(2~{r})-2-(2-Methoxyphenyl)-2-(Oxan-4-Yloxy)ethyl]-5-Methyl-6-(1,3-Oxazol-2-Yl)-2,4-Bis(Oxidanylidene)thieno[2,3-D]pyrimidin-3-Yl]-2-Methyl-Propanamide
CAS: 1434639-57-2
CID: 71570560
Formula: C28H32N4O7S
MW: 568.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.6
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass568.19917055
Monoisotopic Mass568.19917055
Topological Polar Surface Area166 Ų
Heavy Atom Count40
Formal Charge0
Complexity948
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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