C301-9105 Screening compound: 2-(4-chlorophenyl)-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)acetamide

C301-9105 Screening compound: 2-(4-chlorophenyl)-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)acetamide
C301-9105 Screening compound: 2-(4-chlorophenyl)-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9105
2-(4-chlorophenyl)-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-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

C301-9105

Molecular Formula

C18H17ClN2O3 (C18 H17 ClN2 O3)

Compound Name

2-(4-chlorophenyl)-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzoxazol-6-yl)acetamide

IUPAC name

2-(4-chlorophenyl)-N-(2-oxo-3-propyl-23-dihydro-13-benzoxazol-6-yl)acetamide

SMILES

CCCN(c(ccc(NC(Cc(cc1)ccc1Cl)=O)c1)c1O1)C1=O

InChI

InChI=1S/C18H17ClN2O3/c1-2-9-21-15-8-7-14(11-16(15)24-18(21)23)20-17(22)10-12-3-5-13(19)6-4-12/h3-8,11H,2,9-10H2,1H3,(H,20,22)

InChI Key

XRVWQBWALJKBDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-4.41

Polar Surface Area

46.195

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C301-9105 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-9105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9105?
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What is the minimum amount of C301-9105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9105
  • 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 C301-9105 available by request