C800-0486 Screening compound: 1-benzyl-3-(4-chlorophenyl)-1-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

C800-0486 Screening compound: 1-benzyl-3-(4-chlorophenyl)-1-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea
C800-0486 Screening compound: 1-benzyl-3-(4-chlorophenyl)-1-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0486
1-benzyl-3-(4-chlorophenyl)-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

C800-0486

Molecular Formula

C28H24ClN3OS (C28 H24 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(-c2cccs2)c(CN(Cc2ccccc2)C(Nc(cc2)ccc2Cl)=O)c2c1cccc2

InChI

InChI=1S/C28H24ClN3OS/c1-31-25-11-6-5-10-23(25)24(27(31)26-12-7-17-34-26)19-32(18-20-8-3-2-4-9-20)28(33)30-22-15-13-21(29)14-16-22/h2-17H,18-19H2,1H3,(H,30,33)

InChI Key

ARJDWQMVUDEMJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.04

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

6.891

Distribution Coefficient, logD

6.891

Water Solubility, LogSw

-6.36

Polar Surface Area

27.057

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with C800-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0486?
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What is the minimum amount of C800-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0486
  • 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 C800-0486 available by request