D012-0361 Screening compound: 1-{[1,1'-biphenyl]-2-yl}-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea

D012-0361 Screening compound: 1-{[1,1'-biphenyl]-2-yl}-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
D012-0361 Screening compound: 1-{[1,1'-biphenyl]-2-yl}-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0361
1-{[1,1'-biphenyl]-2-yl}-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]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

D012-0361

Molecular Formula

C24H23N3O2 (C24 H23 N3 O2)

Compound Name

1-{[1,1'-biphenyl]-2-yl}-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea

IUPAC name

1-{[11'-biphenyl]-2-yl}-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea

SMILES

COc(cc1)cc2c1[nH]cc2CCNC(Nc(cccc1)c1-c1ccccc1)=O

InChI

InChI=1S/C24H23N3O2/c1-29-19-11-12-22-21(15-19)18(16-26-22)13-14-25-24(28)27-23-10-6-5-9-20(23)17-7-3-2-4-8-17/h2-12,15-16,26H,13-14H2,1H3,(H2,25,27,28)

InChI Key

VHRPGCXOADTHMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.643

Distribution Coefficient, logD

4.643

Water Solubility, LogSw

-4.46

Polar Surface Area

50.150

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D012-0361 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D012-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0361?
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What is the minimum amount of D012-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0361
  • 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 D012-0361 available by request