0958-0115 Screening compound: 2-chloro-N-{3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]phenyl}benzamide

0958-0115 Screening compound: 2-chloro-N-{3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]phenyl}benzamide
0958-0115 Screening compound: 2-chloro-N-{3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0958-0115
2-chloro-N-{3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]phenyl}benzamide

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

0958-0115

Molecular Formula

C20H13Br2ClN2O2 (C20 H13 Br2 ClN2 O2)

Compound Name

2-chloro-N-{3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]phenyl}benzamide

IUPAC name

2-chloro-N-{3-[(E)-[(35-dibromo-2-hydroxyphenyl)methylidene]amino]phenyl}benzamide

SMILES

Oc(c(/C=N/c1cc(NC(c(cccc2)c2Cl)=O)ccc1)cc(Br)c1)c1Br

InChI

InChI=1S/C20H13Br2ClN2O2/c21-13-8-12(19(26)17(22)9-13)11-24-14-4-3-5-15(10-14)25-20(27)16-6-1-2-7-18(16)23/h1-11,26H,(H,25,27)

InChI Key

RBMOGSVZIBYGDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00295192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.249

Distribution Coefficient, logD

5.682

Water Solubility, LogSw

-5.79

Polar Surface Area

46.936

Acid Dissociation Constant (pKa)

6.97

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0958-0115 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0958-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0958-0115?
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What is the minimum amount of 0958-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0958-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0958-0115
  • 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 0958-0115 available by request