D663-0175 Screening compound: 5-{[(4-chlorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

D663-0175 Screening compound: 5-{[(4-chlorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
D663-0175 Screening compound: 5-{[(4-chlorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D663-0175
5-{[(4-chlorophenyl)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

D663-0175

Molecular Formula

C14H12ClN3O (C14 H12 ClN3 O)

Compound Name

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

IUPAC name

5-{[(4-chlorophenyl)methyl]amino}-23-dihydro-1H-13-benzodiazol-2-one

SMILES

O=C1Nc(cc(cc2)NCc(cc3)ccc3Cl)c2N1

InChI

InChI=1S/C14H12ClN3O/c15-10-3-1-9(2-4-10)8-16-11-5-6-12-13(7-11)18-14(19)17-12/h1-7,16H,8H2,(H2,17,18,19)

InChI Key

HWWGJYGURVCFCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07610987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.72

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

2.924

Water Solubility, LogSw

-3.44

Polar Surface Area

46.200

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D663-0175 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D663-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D663-0175?
Check Price and Availability of D663-0175, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D663-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D663-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D663-0175
  • 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 D663-0175 available by request