E769-1370 Screening compound: 3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(3-methoxyphenyl)urea

E769-1370 Screening compound: 3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(3-methoxyphenyl)urea
E769-1370 Screening compound: 3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E769-1370
3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(3-methoxyphenyl)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

E769-1370

Molecular Formula

C28H25N3O2S (C28 H25 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(NCc2c(-c3cccs3)n(Cc3ccccc3)c3c2cccc3)=O)c1

InChI

InChI=1S/C28H25N3O2S/c1-33-22-12-7-11-21(17-22)30-28(32)29-18-24-23-13-5-6-14-25(23)31(19-20-9-3-2-4-10-20)27(24)26-15-8-16-34-26/h2-17H,18-19H2,1H3,(H2,29,30,32)

InChI Key

ACWHEMMGZIPOET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.797

Distribution Coefficient, logD

6.797

Water Solubility, LogSw

-5.94

Polar Surface Area

42.384

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

E769-1370 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 E769-1370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-1370?
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What is the minimum amount of E769-1370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-1370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-1370
  • 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 E769-1370 available by request