E769-1353 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

E769-1353 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea
E769-1353 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E769-1353
1-(2H-1,3-benzodioxol-5-yl)-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

E769-1353

Molecular Formula

C23H21N3O3S (C23 H21 N3 O3 S)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

IUPAC name

1-(2H-13-benzodioxol-5-yl)-3-{[1-ethyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

SMILES

CCn1c(-c2cccs2)c(CNC(Nc(cc2)cc3c2OCO3)=O)c2c1cccc2

InChI

InChI=1S/C23H21N3O3S/c1-2-26-18-7-4-3-6-16(18)17(22(26)21-8-5-11-30-21)13-24-23(27)25-15-9-10-19-20(12-15)29-14-28-19/h3-12H,2,13-14H2,1H3,(H2,24,25,27)

InChI Key

BSMUTMQWZLMZMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.400

Distribution Coefficient, logD

5.400

Water Solubility, LogSw

-5.72

Polar Surface Area

51.952

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E769-1353 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 E769-1353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-1353?
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What is the minimum amount of E769-1353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-1353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-1353
  • 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 E769-1353 available by request