E847-0114 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid

E847-0114 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid
E847-0114 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0114
1-[(2-chloro-4-fluorophenyl)methyl]-3-({[2-(3,4-dimethoxyphenyl)ethyl]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

E847-0114

Molecular Formula

C28H28ClFN2O5 (C28 H28 ClFN2 O5)

Compound Name

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

IUPAC name

1-[(2-chloro-4-fluorophenyl)methyl]-3-({[2-(34-dimethoxyphenyl)ethyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid

SMILES

COc(cc1)cc2c1c(CNCCc(cc1)cc(OC)c1OC)c(C(O)=O)n2Cc(ccc(F)c1)c1Cl

InChI

InChI=1S/C28H28ClFN2O5/c1-35-20-7-8-21-22(15-31-11-10-17-4-9-25(36-2)26(12-17)37-3)27(28(33)34)32(24(21)14-20)16-18-5-6-19(30)13-23(18)29/h4-9,12-14,31H,10-11,15-16H2,1-3H3,(H,33,34)

InChI Key

LVNHSHMJASFYSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.495

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-4.43

Polar Surface Area

63.288

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E847-0114 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 E847-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0114?
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What is the minimum amount of E847-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0114
  • 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 E847-0114 available by request