E769-1349 Screening compound: 3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(2-phenylethyl)urea

E769-1349 Screening compound: 3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(2-phenylethyl)urea
E769-1349 Screening compound: 3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(2-phenylethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E769-1349
3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-(2-phenylethyl)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

E769-1349

Molecular Formula

C24H25N3OS (C24 H25 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(-c2cccs2)c(CNC(NCCc2ccccc2)=O)c2c1cccc2

InChI

InChI=1S/C24H25N3OS/c1-2-27-21-12-7-6-11-19(21)20(23(27)22-13-8-16-29-22)17-26-24(28)25-15-14-18-9-4-3-5-10-18/h3-13,16H,2,14-15,17H2,1H3,(H2,25,26,28)

InChI Key

NHQGHSMKKMXIEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.991

Distribution Coefficient, logD

4.991

Water Solubility, LogSw

-4.84

Polar Surface Area

36.000

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

E769-1349 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E769-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-1349?
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What is the minimum amount of E769-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-1349
  • 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 E769-1349 available by request