E769-1418 Screening compound: 3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(2,4-difluorophenyl)urea

E769-1418 Screening compound: 3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(2,4-difluorophenyl)urea
E769-1418 Screening compound: 3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(2,4-difluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E769-1418
3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(2,4-difluorophenyl)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

E769-1418

Molecular Formula

C27H21F2N3OS (C27 H21 F2 N3 OS)

Compound Name

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

IUPAC name

3-{[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(24-difluorophenyl)urea

SMILES

O=C(NCc1c(-c2cccs2)n(Cc2ccccc2)c2c1cccc2)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C27H21F2N3OS/c28-19-12-13-23(22(29)15-19)31-27(33)30-16-21-20-9-4-5-10-24(20)32(17-18-7-2-1-3-8-18)26(21)25-11-6-14-34-25/h1-15H,16-17H2,(H2,30,31,33)

InChI Key

QUKLMEDVMLKCQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

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

6.648

Distribution Coefficient, logD

6.647

Water Solubility, LogSw

-6.35

Polar Surface Area

34.142

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

E769-1418 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 E769-1418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-1418?
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What is the minimum amount of E769-1418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-1418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-1418
  • 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 E769-1418 available by request