0627-0586 Screening compound: N1,N3-bis(4-aminophenyl)benzene-1,3-dicarboxamide

0627-0586 Screening compound: N1,N3-bis(4-aminophenyl)benzene-1,3-dicarboxamide
0627-0586 Screening compound: N1,N3-bis(4-aminophenyl)benzene-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0586
N1,N3-bis(4-aminophenyl)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

0627-0586

Molecular Formula

C20H18N4O2 (C20 H18 N4 O2)

Compound Name

N1,N3-bis(4-aminophenyl)benzene-1,3-dicarboxamide

IUPAC name

N1N3-bis(4-aminophenyl)benzene-13-dicarboxamide

SMILES

Nc(cc1)ccc1NC(c1cccc(C(Nc(cc2)ccc2N)=O)c1)=O

InChI

InChI=1S/C20H18N4O2/c21-15-4-8-17(9-5-15)23-19(25)13-2-1-3-14(12-13)20(26)24-18-10-6-16(22)7-11-18/h1-12H,21-22H2,(H,23,25)(H,24,26)

InChI Key

BEHKLEGNLJLVED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00569242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.727

Distribution Coefficient, logD

1.724

Water Solubility, LogSw

-2.23

Polar Surface Area

88.033

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0627-0586 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 0627-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0586?
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What is the minimum amount of 0627-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0586
  • 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 0627-0586 available by request