E864-0475 Screening compound: 6-chloro-N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide

E864-0475 Screening compound: 6-chloro-N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide
E864-0475 Screening compound: 6-chloro-N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E864-0475
6-chloro-N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-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

E864-0475

Molecular Formula

C24H17ClF3N3O (C24 H17 ClF3 N3 O)

Compound Name

6-chloro-N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxamide

IUPAC name

6-chloro-N-(24-difluorophenyl)-1-(4-fluorophenyl)-1H2H3H4H9H-pyrido[34-b]indole-2-carboxamide

SMILES

O=C(Nc(ccc(F)c1)c1F)N(CCc1c2[nH]c(cc3)c1cc3Cl)C2c(cc1)ccc1F

InChI

InChI=1S/C24H17ClF3N3O/c25-14-3-7-20-18(11-14)17-9-10-31(24(32)30-21-8-6-16(27)12-19(21)28)23(22(17)29-20)13-1-4-15(26)5-2-13/h1-8,11-12,23,29H,9-10H2,(H,30,32)/t23-/m1/s1

InChI Key

OGRDUXRDCANCDI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14924344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.87

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.426

Distribution Coefficient, logD

6.426

Water Solubility, LogSw

-6.64

Polar Surface Area

34.195

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

E864-0475 in Drug Discovery

Included in Screening Libraries

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 E864-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E864-0475?
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What is the minimum amount of E864-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E864-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E864-0475
  • 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 E864-0475 available by request