8003-0177 Screening compound: 3-{3-[(imino{2-[(E)-1-(4-methoxyphenyl)ethylidene]hydrazino}methyl)sulfanyl]-2,5-dioxo-1-pyrrolidinyl}benzoic acid

8003-0177 Screening compound: 3-{3-[(imino{2-[(E)-1-(4-methoxyphenyl)ethylidene]hydrazino}methyl)sulfanyl]-2,5-dioxo-1-pyrrolidinyl}benzoic acid
8003-0177 Screening compound: 3-{3-[(imino{2-[(E)-1-(4-methoxyphenyl)ethylidene]hydrazino}methyl)sulfanyl]-2,5-dioxo-1-pyrrolidinyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0177
3-{3-[(imino{2-[(E)-1-(4-methoxyphenyl)ethylidene]hydrazino}methyl)sulfanyl]-2,5-dioxo-1-pyrrolidinyl}benzoic 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

8003-0177

Molecular Formula

C21H20N4O5S (C21 H20 N4 O5 S)

Compound Name

3-{3-[(imino{2-[(E)-1-(4-methoxyphenyl)ethylidene]hydrazino}methyl)sulfanyl]-2,5-dioxo-1-pyrrolidinyl}benzoic acid

IUPAC name

3-[3-({N-[(E)-[1-(4-methoxyphenyl)ethylidene]amino]carbamimidoyl}sulfanyl)-25-dioxopyrrolidin-1-yl]benzoic acid

SMILES

C/C(/c(cc1)ccc1OC)=N\NC(SC(CC(N1c2cc(C(O)=O)ccc2)=O)C1=O)=N

InChI

InChI=1S/C21H20N4O5S/c1-12(13-6-8-16(30-2)9-7-13)23-24-21(22)31-17-11-18(26)25(19(17)27)15-5-3-4-14(10-15)20(28)29/h3-10,17H,11H2,1-2H3,(H2,22,24)(H,28,29)/t17-/m0/s1

InChI Key

MDLGMOBLTBEWRB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00624499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.424

Distribution Coefficient, logD

2.424

Water Solubility, LogSw

-2.72

Polar Surface Area

105.085

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.05

References: we are preparing a list of scientific research reports with 8003-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0177?
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What is the minimum amount of 8003-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0177
  • 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 8003-0177 available by request