C800-0483 Screening compound: 1-benzyl-3-(3-chloro-2-methylphenyl)-1-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

C800-0483 Screening compound: 1-benzyl-3-(3-chloro-2-methylphenyl)-1-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea
C800-0483 Screening compound: 1-benzyl-3-(3-chloro-2-methylphenyl)-1-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0483
1-benzyl-3-(3-chloro-2-methylphenyl)-1-{[1-methyl-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

C800-0483

Molecular Formula

C29H26ClN3OS (C29 H26 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(NC(N(Cc1c(-c2cccs2)n(C)c2c1cccc2)Cc1ccccc1)=O)ccc1)c1Cl

InChI

InChI=1S/C29H26ClN3OS/c1-20-24(30)13-8-14-25(20)31-29(34)33(18-21-10-4-3-5-11-21)19-23-22-12-6-7-15-26(22)32(2)28(23)27-16-9-17-35-27/h3-17H,18-19H2,1-2H3,(H,31,34)

InChI Key

KMSIAMKAEGLBFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.06

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.499

Distribution Coefficient, logD

7.499

Water Solubility, LogSw

-6.34

Polar Surface Area

26.359

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with C800-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0483?
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What is the minimum amount of C800-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0483
  • 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 C800-0483 available by request