C800-0455 Screening compound: 1-benzyl-1-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-3-phenylurea

C800-0455 Screening compound: 1-benzyl-1-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-3-phenylurea
C800-0455 Screening compound: 1-benzyl-1-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-3-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0455
1-benzyl-1-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}-3-phenylurea

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

C800-0455

Molecular Formula

C28H25N3OS (C28 H25 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(-c2cccs2)c(CN(Cc2ccccc2)C(Nc2ccccc2)=O)c2c1cccc2

InChI

InChI=1S/C28H25N3OS/c1-30-25-16-9-8-15-23(25)24(27(30)26-17-10-18-33-26)20-31(19-21-11-4-2-5-12-21)28(32)29-22-13-6-3-7-14-22/h2-18H,19-20H2,1H3,(H,29,32)

InChI Key

HAQMXCLXLHCWPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

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

6.104

Distribution Coefficient, logD

6.104

Water Solubility, LogSw

-5.69

Polar Surface Area

27.057

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with C800-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0455?
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What is the minimum amount of C800-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0455
  • 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 C800-0455 available by request