E769-1386 Screening compound: 3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(4-methylphenyl)urea

E769-1386 Screening compound: 3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(4-methylphenyl)urea
E769-1386 Screening compound: 3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E769-1386
3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(4-methylphenyl)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

E769-1386

Molecular Formula

C28H25N3OS (C28 H25 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(NCc1c(-c2cccs2)n(Cc2ccccc2)c2c1cccc2)=O

InChI

InChI=1S/C28H25N3OS/c1-20-13-15-22(16-14-20)30-28(32)29-18-24-23-10-5-6-11-25(23)31(19-21-8-3-2-4-9-21)27(24)26-12-7-17-33-26/h2-17H,18-19H2,1H3,(H2,29,30,32)

InChI Key

PHAJXLOJMOCQJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.154

Distribution Coefficient, logD

7.154

Water Solubility, LogSw

-5.87

Polar Surface Area

34.840

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

E769-1386 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E769-1386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-1386?
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What is the minimum amount of E769-1386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-1386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-1386
  • 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 E769-1386 available by request