8170-0478 Screening compound: N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-chlorophenyl)acetamide

8170-0478 Screening compound: N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-chlorophenyl)acetamide
8170-0478 Screening compound: N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8170-0478
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-chlorophenyl)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

8170-0478

Molecular Formula

C21H13Cl3N2O2 (C21 H13 Cl3 N2 O2)

Compound Name

N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-chlorophenyl)acetamide

IUPAC name

N-[2-chloro-5-(5-chloro-13-benzoxazol-2-yl)phenyl]-2-(4-chlorophenyl)acetamide

SMILES

O=C(Cc(cc1)ccc1Cl)Nc(cc(cc1)-c2nc(cc(cc3)Cl)c3o2)c1Cl

InChI

InChI=1S/C21H13Cl3N2O2/c22-14-4-1-12(2-5-14)9-20(27)25-17-10-13(3-7-16(17)24)21-26-18-11-15(23)6-8-19(18)28-21/h1-8,10-11H,9H2,(H,25,27)

InChI Key

CLWFVZFENFYMLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05850427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.883

Distribution Coefficient, logD

5.883

Water Solubility, LogSw

-6.11

Polar Surface Area

39.229

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 8170-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8170-0478?
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What is the minimum amount of 8170-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8170-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8170-0478
  • 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 8170-0478 available by request