E769-1274 Screening compound: 3-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]urea

E769-1274 Screening compound: 3-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]urea
E769-1274 Screening compound: 3-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E769-1274
3-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-1-[3-(methylsulfanyl)phenyl]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

E769-1274

Molecular Formula

C22H21N3OS2 (C22 H21 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(-c2cccs2)c(CNC(Nc2cc(SC)ccc2)=O)c2c1cccc2

InChI

InChI=1S/C22H21N3OS2/c1-25-19-10-4-3-9-17(19)18(21(25)20-11-6-12-28-20)14-23-22(26)24-15-7-5-8-16(13-15)27-2/h3-13H,14H2,1-2H3,(H2,23,24,26)

InChI Key

LQQRSNMKNZIWBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.317

Distribution Coefficient, logD

5.317

Water Solubility, LogSw

-5.62

Polar Surface Area

35.922

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with E769-1274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-1274?
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What is the minimum amount of E769-1274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-1274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-1274
  • 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 E769-1274 available by request