E847-0438 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(3-fluorophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid

E847-0438 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(3-fluorophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid
E847-0438 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(3-fluorophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0438
1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(3-fluorophenyl)methyl]amino}methyl)-6-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

E847-0438

Molecular Formula

C25H21ClF2N2O2 (C25 H21 ClF2 N2 O2)

Compound Name

1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(3-fluorophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid

IUPAC name

1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(3-fluorophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid

SMILES

Cc(cc1)cc2c1c(CNCc1cc(F)ccc1)c(C(O)=O)n2Cc(ccc(F)c1)c1Cl

InChI

InChI=1S/C25H21ClF2N2O2/c1-15-5-8-20-21(13-29-12-16-3-2-4-18(27)10-16)24(25(31)32)30(23(20)9-15)14-17-6-7-19(28)11-22(17)26/h2-11,29H,12-14H2,1H3,(H,31,32)

InChI Key

AKYPIBRKSJQFTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27602118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.731

Distribution Coefficient, logD

5.731

Water Solubility, LogSw

-5.61

Polar Surface Area

40.642

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E847-0438 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E847-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0438?
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What is the minimum amount of E847-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0438
  • 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 E847-0438 available by request