8007-6031 Screening compound: N-{4-[({[4-(2-ethoxyanilino)-3-nitrophenyl]sulfonyl}methyl)sulfonyl]-2-nitrophenyl}-N-(2-ethoxyphenyl)amine

8007-6031 Screening compound: N-{4-[({[4-(2-ethoxyanilino)-3-nitrophenyl]sulfonyl}methyl)sulfonyl]-2-nitrophenyl}-N-(2-ethoxyphenyl)amine
8007-6031 Screening compound: N-{4-[({[4-(2-ethoxyanilino)-3-nitrophenyl]sulfonyl}methyl)sulfonyl]-2-nitrophenyl}-N-(2-ethoxyphenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6031
N-{4-[({[4-(2-ethoxyanilino)-3-nitrophenyl]sulfonyl}methyl)sulfonyl]-2-nitrophenyl}-N-(2-ethoxyphenyl)amine

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

8007-6031

Molecular Formula

C29H28N4O10S2 (C29 H28 N4 O10 S2)

Compound Name

N-{4-[({[4-(2-ethoxyanilino)-3-nitrophenyl]sulfonyl}methyl)sulfonyl]-2-nitrophenyl}-N-(2-ethoxyphenyl)amine

IUPAC name

N-(2-ethoxyphenyl)-4-({4-[(2-ethoxyphenyl)amino]-3-nitrobenzenesulfonyl}methanesulfonyl)-2-nitroaniline

SMILES

CCOc(cccc1)c1Nc(ccc(S(CS(c(cc1)cc([N+]([O-])=O)c1Nc(cccc1)c1OCC)(=O)=O)(=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C29H28N4O10S2/c1-3-42-28-11-7-5-9-24(28)30-22-15-13-20(17-26(22)32(34)35)44(38,39)19-45(40,41)21-14-16-23(27(18-21)33(36)37)31-25-10-6-8-12-29(25)43-4-2/h5-18,30-31H,3-4,19H2,1-2H3

InChI Key

AAUKDQCSQOVGTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00680591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

656.69

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

6.987

Distribution Coefficient, logD

6.987

Water Solubility, LogSw

-5.78

Polar Surface Area

153.655

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

-5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.24

References: we are preparing a list of scientific research reports with 8007-6031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6031?
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What is the minimum amount of 8007-6031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6031
  • 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 8007-6031 available by request