E693-0092 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[2-(4-chlorophenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

E693-0092 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[2-(4-chlorophenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
E693-0092 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[2-(4-chlorophenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E693-0092
1-[(2-chloro-4-fluorophenyl)methyl]-3-({[2-(4-chlorophenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

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

E693-0092

Molecular Formula

C25H21Cl2FN2O2 (C25 H21 Cl2 FN2 O2)

Compound Name

1-[(2-chloro-4-fluorophenyl)methyl]-3-({[2-(4-chlorophenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

IUPAC name

1-[(2-chloro-4-fluorophenyl)methyl]-3-({[2-(4-chlorophenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

SMILES

OC(c1c(CNCCc(cc2)ccc2Cl)c(cccc2)c2n1Cc(ccc(F)c1)c1Cl)=O

InChI

InChI=1S/C25H21Cl2FN2O2/c26-18-8-5-16(6-9-18)11-12-29-14-21-20-3-1-2-4-23(20)30(24(21)25(31)32)15-17-7-10-19(28)13-22(17)27/h1-10,13,29H,11-12,14-15H2,(H,31,32)

InChI Key

YYKGEIAITUSLIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.480

Distribution Coefficient, logD

5.480

Water Solubility, LogSw

-5.64

Polar Surface Area

40.484

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E693-0092 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with E693-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E693-0092?
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What is the minimum amount of E693-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E693-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E693-0092
  • 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 E693-0092 available by request