D011-2728 Screening compound: 3-[(2-chlorophenyl)methyl]-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one

D011-2728 Screening compound: 3-[(2-chlorophenyl)methyl]-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one
D011-2728 Screening compound: 3-[(2-chlorophenyl)methyl]-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-2728
3-[(2-chlorophenyl)methyl]-5-methyl-2,3-dihydro-1,3-benzoxazol-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

D011-2728

Molecular Formula

C15H12ClNO2 (C15 H12 ClNO2)

Compound Name

3-[(2-chlorophenyl)methyl]-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-[(2-chlorophenyl)methyl]-5-methyl-23-dihydro-13-benzoxazol-2-one

SMILES

Cc(cc1)cc(N2Cc(cccc3)c3Cl)c1OC2=O

InChI

InChI=1S/C15H12ClNO2/c1-10-6-7-14-13(8-10)17(15(18)19-14)9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3

InChI Key

ZWQQKPGNWSBUOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06490452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.48

Polar Surface Area

23.067

Acid Dissociation Constant (pKa)

26.39

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D011-2728 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D011-2728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-2728?
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What is the minimum amount of D011-2728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-2728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-2728
  • 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 D011-2728 available by request