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FTX-6058

CAT: 0013-GTR19188643-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188643-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FTX-6058
CAS Number
2490676-18-9
Field of Research
Epigenetics & Chromatin
Smiles
Cc1ncccc1-c1cc2OC[C@H]3COc4ccc (F) c (CNc2n2cnnc12) c34
Molecular Formula
C22H18FN5O2
Molecular Weight
403.417
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pociredir
CAS Number2490676-18-9
PubChem CID155128494
IUPAC Name(15R)-21-fluoro-10-(2-methyl-3-pyridinyl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene
Molecular FormulaC22H18FN5O2
Molecular Weight403.4
XLogP3.6
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity628
SMILES
CC1=C(C=CC=N1)C2=CC3=C(NCC4=C(C=CC5=C4[C@H](CO5)CO3)F)N6C2=NN=C6
InChI
InChI=1S/C22H18FN5O2/c1-12-14(3-2-6-24-12)15-7-19-22(28-11-26-27-21(15)28)25-8-16-17(23)4-5-18-20(16)13(9-29-18)10-30-19/h2-7,11,13,25H,8-10H2,1H3/t13-/m1/s1
InChIKey
JQBUTSBIFNKJMW-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Pociredir
CAS: 2490676-18-9
CID: 155128494
Formula: C22H18FN5O2
MW: 403.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass403.14445300
Monoisotopic Mass403.14445300
Topological Polar Surface Area73.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity628
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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