1688-0251 Screening compound: 3-[(E)-[(5-chloro-2-hydroxyphenyl)methylidene]amino]-N-(naphthalen-1-yl)benzamide

1688-0251 Screening compound: 3-[(E)-[(5-chloro-2-hydroxyphenyl)methylidene]amino]-N-(naphthalen-1-yl)benzamide
1688-0251 Screening compound: 3-[(E)-[(5-chloro-2-hydroxyphenyl)methylidene]amino]-N-(naphthalen-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1688-0251
3-[(E)-[(5-chloro-2-hydroxyphenyl)methylidene]amino]-N-(naphthalen-1-yl)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

1688-0251

Molecular Formula

C24H17ClN2O2 (C24 H17 ClN2 O2)

Compound Name

3-[(E)-[(5-chloro-2-hydroxyphenyl)methylidene]amino]-N-(naphthalen-1-yl)benzamide

IUPAC name

3-[(E)-[(5-chloro-2-hydroxyphenyl)methylidene]amino]-N-(naphthalen-1-yl)benzamide

SMILES

Oc(cc1)c(/C=N/c2cc(C(Nc3cccc4ccccc34)=O)ccc2)cc1Cl

InChI

InChI=1S/C24H17ClN2O2/c25-19-11-12-23(28)18(13-19)15-26-20-8-3-7-17(14-20)24(29)27-22-10-4-6-16-5-1-2-9-21(16)22/h1-15,28H,(H,27,29)

InChI Key

RRQYHTXCLAIIEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01040285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.86

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

5.552

Distribution Coefficient, logD

5.483

Water Solubility, LogSw

-5.97

Polar Surface Area

47.036

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1688-0251 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1688-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1688-0251?
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What is the minimum amount of 1688-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1688-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1688-0251
  • 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 1688-0251 available by request