E847-0110 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(3-chlorophenyl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid

E847-0110 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(3-chlorophenyl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid
E847-0110 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(3-chlorophenyl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0110
1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(3-chlorophenyl)methyl]amino}methyl)-6-methoxy-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

E847-0110

Molecular Formula

C25H21Cl2FN2O3 (C25 H21 Cl2 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H21Cl2FN2O3/c1-33-19-7-8-20-21(13-29-12-15-3-2-4-17(26)9-15)24(25(31)32)30(23(20)11-19)14-16-5-6-18(28)10-22(16)27/h2-11,29H,12-14H2,1H3,(H,31,32)

InChI Key

MMLGYLVQCCXQSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.847

Distribution Coefficient, logD

5.847

Water Solubility, LogSw

-5.69

Polar Surface Area

48.186

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with E847-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0110?
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What is the minimum amount of E847-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0110
  • 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 E847-0110 available by request