K904-0458 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

K904-0458 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
K904-0458 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K904-0458
N-(3-chloro-4-methoxyphenyl)-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

K904-0458

Molecular Formula

C16H13ClN2O4 (C16 H13 ClN2 O4)

Compound Name

N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamide

SMILES

COc(ccc(NC(CN(c(cccc1)c1O1)C1=O)=O)c1)c1Cl

InChI

InChI=1S/C16H13ClN2O4/c1-22-13-7-6-10(8-11(13)17)18-15(20)9-19-12-4-2-3-5-14(12)23-16(19)21/h2-8H,9H2,1H3,(H,18,20)

InChI Key

LBLJZORJKZLVAW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

3.115

Water Solubility, LogSw

-3.57

Polar Surface Area

53.847

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with K904-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K904-0458?
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What is the minimum amount of K904-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K904-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K904-0458
  • 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 K904-0458 available by request