C329-0635 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyclohexyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0635 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyclohexyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0635 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyclohexyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0635
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyclohexyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C329-0635

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyclohexyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-cyclohexyl-9-methyl-1-oxo-1H2H9H-pyrido[34-b]indole-4-carboxamide

SMILES

Cn(c1c2cccc1)c1c2C(C(NCc(cc2)cc3c2OCO3)=O)=CN(C2CCCCC2)C1=O

InChI

InChI=1S/C27H27N3O4/c1-29-21-10-6-5-9-19(21)24-20(15-30(27(32)25(24)29)18-7-3-2-4-8-18)26(31)28-14-17-11-12-22-23(13-17)34-16-33-22/h5-6,9-13,15,18H,2-4,7-8,14,16H2,1H3,(H,28,31)

InChI Key

DGJKDWAGFUWOTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-4.22

Polar Surface Area

59.039

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C329-0635 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C329-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0635?
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What is the minimum amount of C329-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0635
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C329-0635 available by request