D663-0176 Screening compound: 5-{[(2,4-dichlorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

D663-0176 Screening compound: 5-{[(2,4-dichlorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
D663-0176 Screening compound: 5-{[(2,4-dichlorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D663-0176
5-{[(2,4-dichlorophenyl)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

D663-0176

Molecular Formula

C14H11Cl2N3O (C14 H11 Cl2 N3 O)

Compound Name

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

IUPAC name

5-{[(24-dichlorophenyl)methyl]amino}-23-dihydro-1H-13-benzodiazol-2-one

SMILES

O=C1Nc(cc(cc2)NCc(ccc(Cl)c3)c3Cl)c2N1

InChI

InChI=1S/C14H11Cl2N3O/c15-9-2-1-8(11(16)5-9)7-17-10-3-4-12-13(6-10)19-14(20)18-12/h1-6,17H,7H2,(H2,18,19,20)

InChI Key

LADILXUPFJQLQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02316332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.17

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

3.861

Distribution Coefficient, logD

3.861

Water Solubility, LogSw

-4.02

Polar Surface Area

46.200

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D663-0176 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D663-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D663-0176?
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What is the minimum amount of D663-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D663-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D663-0176
  • 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 D663-0176 available by request