D663-0037 Screening compound: 5-[({[1,1'-biphenyl]-4-yl}methyl)amino]-2,3-dihydro-1H-1,3-benzodiazol-2-one

D663-0037 Screening compound: 5-[({[1,1'-biphenyl]-4-yl}methyl)amino]-2,3-dihydro-1H-1,3-benzodiazol-2-one
D663-0037 Screening compound: 5-[({[1,1'-biphenyl]-4-yl}methyl)amino]-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D663-0037
5-[({[1,1'-biphenyl]-4-yl}methyl)amino]-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

D663-0037

Molecular Formula

C20H17N3O (C20 H17 N3 O)

Compound Name

5-[({[1,1'-biphenyl]-4-yl}methyl)amino]-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-[({[11'-biphenyl]-4-yl}methyl)amino]-23-dihydro-1H-13-benzodiazol-2-one

SMILES

O=C1Nc(cc(cc2)NCc(cc3)ccc3-c3ccccc3)c2N1

InChI

InChI=1S/C20H17N3O/c24-20-22-18-11-10-17(12-19(18)23-20)21-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12,21H,13H2,(H2,22,23,24)

InChI Key

ZKSHQCSZMBIABU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07611129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.44

Polar Surface Area

45.928

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D663-0037 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D663-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D663-0037?
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What is the minimum amount of D663-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D663-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D663-0037
  • 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 D663-0037 available by request