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TP-353

CAT: 0931-T22440-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T22440-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1253799-29-9
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Purity
0.9998
Bioactivity
TP-353 (EOS-61973) is a CDK7 inhibitor.
Smiles
Cc1c(F)cc(N(Cc2ccccc2)Cc2ccccc2)c(OCc2ccccc2)c1C(=O)Oc1ccccc1
Molecular Formula
C35H30FNO3
Molecular Weight
531.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Aminofluoro hydroxybenzoate
CAS Number1253799-29-9
PubChem CID71739305
IUPAC Namephenyl 5-(dibenzylamino)-3-fluoro-2-methyl-6-phenylmethoxybenzoate
Molecular FormulaC35H30FNO3
Molecular Weight531.6
XLogP8.4
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity719
SMILES
CC1=C(C=C(C(=C1C(=O)OC2=CC=CC=C2)OCC3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)F
InChI
InChI=1S/C35H30FNO3/c1-26-31(36)22-32(37(23-27-14-6-2-7-15-27)24-28-16-8-3-9-17-28)34(39-25-29-18-10-4-11-19-29)33(26)35(38)40-30-20-12-5-13-21-30/h2-22H,23-25H2,1H3
InChIKey
VRXGVVAMXZXKNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aminofluoro hydroxybenzoate
CAS: 1253799-29-9
CID: 71739305
Formula: C35H30FNO3
MW: 531.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight531.6
XLogP38.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass531.22097198
Monoisotopic Mass531.22097198
Topological Polar Surface Area38.8 Ų
Heavy Atom Count40
Formal Charge0
Complexity719
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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