0960-0276 Screening compound: 2-[(E)-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]imino}methyl]-4-bromo-6-ethoxyphenol

0960-0276 Screening compound: 2-[(E)-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]imino}methyl]-4-bromo-6-ethoxyphenol
0960-0276 Screening compound: 2-[(E)-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]imino}methyl]-4-bromo-6-ethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0960-0276
2-[(E)-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]imino}methyl]-4-bromo-6-ethoxyphenol

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

0960-0276

Molecular Formula

C22H16BrClN2O3 (C22 H16 BrClN2 O3)

Compound Name

2-[(E)-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]imino}methyl]-4-bromo-6-ethoxyphenol

IUPAC name

2-[(E)-{[3-(13-benzoxazol-2-yl)-4-chlorophenyl]imino}methyl]-4-bromo-6-ethoxyphenol

SMILES

CCOc(cc(cc1/C=N/c(cc2)cc(-c3nc(cccc4)c4o3)c2Cl)Br)c1O

InChI

InChI=1S/C22H16BrClN2O3/c1-2-28-20-10-14(23)9-13(21(20)27)12-25-15-7-8-17(24)16(11-15)22-26-18-5-3-4-6-19(18)29-22/h3-12,27H,2H2,1H3

InChI Key

NGGOOXNLFCSRRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00287766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.629

Distribution Coefficient, logD

6.561

Water Solubility, LogSw

-5.97

Polar Surface Area

47.866

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0960-0276 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0960-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0960-0276?
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What is the minimum amount of 0960-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0960-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0960-0276
  • 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 0960-0276 available by request