8006-8197 Screening compound: 4-{4-[3-(4-nitrophenoxy)benzamido]phenoxy}benzene-1,2-dicarboxylic acid

8006-8197 Screening compound: 4-{4-[3-(4-nitrophenoxy)benzamido]phenoxy}benzene-1,2-dicarboxylic acid
8006-8197 Screening compound: 4-{4-[3-(4-nitrophenoxy)benzamido]phenoxy}benzene-1,2-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8197
4-{4-[3-(4-nitrophenoxy)benzamido]phenoxy}benzene-1,2-dicarboxylic acid

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

8006-8197

Molecular Formula

C27H18N2O9 (C27 H18 N2 O9)

Compound Name

4-{4-[3-(4-nitrophenoxy)benzamido]phenoxy}benzene-1,2-dicarboxylic acid

IUPAC name

4-{4-[3-(4-nitrophenoxy)benzamido]phenoxy}benzene-12-dicarboxylic acid

SMILES

[O-][N+](c(cc1)ccc1Oc1cc(C(Nc(cc2)ccc2Oc(cc2)cc(C(O)=O)c2C(O)=O)=O)ccc1)=O

InChI

InChI=1S/C27H18N2O9/c30-25(16-2-1-3-21(14-16)37-20-10-6-18(7-11-20)29(35)36)28-17-4-8-19(9-5-17)38-22-12-13-23(26(31)32)24(15-22)27(33)34/h1-15H,(H,28,30)(H,31,32)(H,33,34)

InChI Key

BPRXTAIASMSEOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00306674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.45

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.575

Distribution Coefficient, logD

1.366

Water Solubility, LogSw

-5.64

Polar Surface Area

127.023

Acid Dissociation Constant (pKa)

3.19

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8006-8197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8197?
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What is the minimum amount of 8006-8197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8197
  • 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 8006-8197 available by request