8003-2076 Screening compound: bis(4-{[(2-hydroxyphenyl)imino]methyl}phenyl) 2-nitroterephthalate

8003-2076 Screening compound: bis(4-{[(2-hydroxyphenyl)imino]methyl}phenyl) 2-nitroterephthalate
8003-2076 Screening compound: bis(4-{[(2-hydroxyphenyl)imino]methyl}phenyl) 2-nitroterephthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-2076
bis(4-{[(2-hydroxyphenyl)imino]methyl}phenyl) 2-nitroterephthalate

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

8003-2076

Molecular Formula

C34H23N3O8 (C34 H23 N3 O8)

Compound Name

bis(4-{[(2-hydroxyphenyl)imino]methyl}phenyl) 2-nitroterephthalate

IUPAC name

14-bis({4-[(E)-[(2-hydroxyphenyl)imino]methyl]phenyl}) 2-nitrobenzene-14-dicarboxylate

SMILES

[O-][N+](c(cc(cc1)C(Oc2ccc(/C=N/c(cccc3)c3O)cc2)=O)c1C(Oc1ccc(/C=N/c(cccc2)c2O)cc1)=O)=O

InChI

InChI=1S/C34H23N3O8/c38-31-7-3-1-5-28(31)35-20-22-9-14-25(15-10-22)44-33(40)24-13-18-27(30(19-24)37(42)43)34(41)45-26-16-11-23(12-17-26)21-36-29-6-2-4-8-32(29)39/h1-21,38-39H

InChI Key

XPKPXLWQNBSDGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

601.57

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.986

Distribution Coefficient, logD

5.436

Water Solubility, LogSw

-5.66

Polar Surface Area

122.030

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-2076 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-2076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-2076?
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What is the minimum amount of 8003-2076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-2076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-2076
  • 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 8003-2076 available by request