E769-1321 Screening compound: 1-(4-bromophenyl)-3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

E769-1321 Screening compound: 1-(4-bromophenyl)-3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea
E769-1321 Screening compound: 1-(4-bromophenyl)-3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E769-1321
1-(4-bromophenyl)-3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

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

E769-1321

Molecular Formula

C22H20BrN3OS (C22 H20 BrN3 OS)

Compound Name

1-(4-bromophenyl)-3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

IUPAC name

1-(4-bromophenyl)-3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

SMILES

CCn1c(-c2cccs2)c(CNC(Nc(cc2)ccc2Br)=O)c2c1cccc2

InChI

InChI=1S/C22H20BrN3OS/c1-2-26-19-7-4-3-6-17(19)18(21(26)20-8-5-13-28-20)14-24-22(27)25-16-11-9-15(23)10-12-16/h3-13H,2,14H2,1H3,(H2,24,25,27)

InChI Key

MFMTTWPMJAYPLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.401

Distribution Coefficient, logD

6.401

Water Solubility, LogSw

-5.98

Polar Surface Area

34.837

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E769-1321 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E769-1321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-1321?
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What is the minimum amount of E769-1321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-1321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-1321
  • 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 E769-1321 available by request