D272-0864 Screening compound: 5-{[(3-bromo-4,5-diethoxyphenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

D272-0864 Screening compound: 5-{[(3-bromo-4,5-diethoxyphenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
D272-0864 Screening compound: 5-{[(3-bromo-4,5-diethoxyphenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D272-0864
5-{[(3-bromo-4,5-diethoxyphenyl)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

D272-0864

Molecular Formula

C18H20BrN3O3 (C18 H20 BrN3 O3)

Compound Name

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

IUPAC name

5-{[(3-bromo-45-diethoxyphenyl)methyl]amino}-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CCOc1cc(CNc(cc2)cc(N3)c2NC3=O)cc(Br)c1OCC

InChI

InChI=1S/C18H20BrN3O3/c1-3-24-16-8-11(7-13(19)17(16)25-4-2)10-20-12-5-6-14-15(9-12)22-18(23)21-14/h5-9,20H,3-4,10H2,1-2H3,(H2,21,22,23)

InChI Key

WOCXUQMWAFZZRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.773

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-3.93

Polar Surface Area

60.707

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D272-0864 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D272-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D272-0864?
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What is the minimum amount of D272-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D272-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D272-0864
  • 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 D272-0864 available by request