8170-0468 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide

8170-0468 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
8170-0468 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8170-0468
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)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

8170-0468

Molecular Formula

C21H14Cl2N2O3 (C21 H14 Cl2 N2 O3)

Compound Name

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

IUPAC name

N-[3-(5-chloro-13-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide

SMILES

O=C(COc(cccc1)c1Cl)Nc1cc(-c2nc(cc(cc3)Cl)c3o2)ccc1

InChI

InChI=1S/C21H14Cl2N2O3/c22-14-8-9-19-17(11-14)25-21(28-19)13-4-3-5-15(10-13)24-20(26)12-27-18-7-2-1-6-16(18)23/h1-11H,12H2,(H,24,26)

InChI Key

UOGHDVPBOGEYPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05850404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.26

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

5.646

Distribution Coefficient, logD

5.646

Water Solubility, LogSw

-5.97

Polar Surface Area

47.512

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8170-0468 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8170-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8170-0468?
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What is the minimum amount of 8170-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8170-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8170-0468
  • 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 8170-0468 available by request