C791-0326 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

C791-0326 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
C791-0326 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0326
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

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

C791-0326

Molecular Formula

C17H15BrN2O4 (C17 H15 BrN2 O4)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamide

SMILES

COc(cc1)c(CNC(CN(c(cccc2)c2O2)C2=O)=O)cc1Br

InChI

InChI=1S/C17H15BrN2O4/c1-23-14-7-6-12(18)8-11(14)9-19-16(21)10-20-13-4-2-3-5-15(13)24-17(20)22/h2-8H,9-10H2,1H3,(H,19,21)

InChI Key

KDOZJYDFGVJIAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.49

Polar Surface Area

55.169

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C791-0326 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C791-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0326?
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What is the minimum amount of C791-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0326
  • 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 C791-0326 available by request