0868-0194 Screening compound: N1,N3-bis({4-[(E)-(phenylmethylidene)amino]phenyl})benzene-1,3-dicarboxamide

0868-0194 Screening compound: N1,N3-bis({4-[(E)-(phenylmethylidene)amino]phenyl})benzene-1,3-dicarboxamide
0868-0194 Screening compound: N1,N3-bis({4-[(E)-(phenylmethylidene)amino]phenyl})benzene-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0868-0194
N1,N3-bis({4-[(E)-(phenylmethylidene)amino]phenyl})benzene-1,3-dicarboxamide

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

0868-0194

Molecular Formula

C34H26N4O2 (C34 H26 N4 O2)

Compound Name

N1,N3-bis({4-[(E)-(phenylmethylidene)amino]phenyl})benzene-1,3-dicarboxamide

IUPAC name

n/a

SMILES

O=C(c1cccc(C(Nc(cc2)ccc2/N=C/c2ccccc2)=O)c1)Nc(cc1)ccc1/N=C/c1ccccc1

InChI

InChI=1S/C34H26N4O2/c39-33(37-31-18-14-29(15-19-31)35-23-25-8-3-1-4-9-25)27-12-7-13-28(22-27)34(40)38-32-20-16-30(17-21-32)36-24-26-10-5-2-6-11-26/h1-24H,(H,37,39)(H,38,40)

InChI Key

XMRJJKVDERDQJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.902

Distribution Coefficient, logD

5.899

Water Solubility, LogSw

-6.01

Polar Surface Area

62.676

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0868-0194 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 0868-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0868-0194?
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What is the minimum amount of 0868-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0868-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0868-0194
  • 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 0868-0194 available by request