Cbp/ep300-in-1

CAT: 0926-TXD78932-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-TXD78932-01Size:25 mg

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CAS Number

2443789-32-8

Smiles

CC (=O) N1C=C (C2=C1C=CC (=C2) OC) C (=O) NC3=C (C=CC (=C3) C (=O) OC (C) (C) C) F

Molecular Formula

C23H23FN2O5

Molecular Weight

426.4 g/mol

Controlled

Yes

Chemical Information

CBP/p300-IN-1

CAS Number	2443789-32-8
PubChem CID	137628649
IUPAC Name	tert-butyl 3-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]-4-fluorobenzoate
Molecular Formula	C23H23FN2O5
Molecular Weight	426.4
XLogP	3.6
Topological Polar Surface Area	86.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	694

SMILES

CC(=O)N1C=C(C2=C1C=CC(=C2)OC)C(=O)NC3=C(C=CC(=C3)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C23H23FN2O5/c1-13(27)26-12-17(16-11-15(30-5)7-9-20(16)26)21(28)25-19-10-14(6-8-18(19)24)22(29)31-23(2,3)4/h6-12H,1-5H3,(H,25,28)

InChIKey

BNTANBUTBDVIHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2443789-32-8

CID: 137628649

Formula: C23H23FN2O5

MW: 426.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	426.4
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	426.15910000
Monoisotopic Mass	426.15910000
Topological Polar Surface Area	86.6 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	694
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-160260	EP300/CBP-IN-1
T7264-01	CBP/EP300-IN-1
HY-161959	EP300/CBP ligand 1
HY-160261S	EP300/CBP-IN-2
HY-164005	CBP/EP300 bromodomain receptor-IN-1
HY-161960	EP300/CBP ligand 2
T79168-01	CBP-IN-1
522680-01	EP300
HY-111420-01	CBP/p300-IN-1