8003-3760 Screening compound: 1-(4-butoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl 2-[(E)-1-(3,4-dihydroxyphenyl)methylidene]-1-hydrazinecarboximidothioate

8003-3760 Screening compound: 1-(4-butoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl 2-[(E)-1-(3,4-dihydroxyphenyl)methylidene]-1-hydrazinecarboximidothioate
8003-3760 Screening compound: 1-(4-butoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl 2-[(E)-1-(3,4-dihydroxyphenyl)methylidene]-1-hydrazinecarboximidothioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-3760
1-(4-butoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl 2-[(E)-1-(3,4-dihydroxyphenyl)methylidene]-1-hydrazinecarboximidothioate

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

8003-3760

Molecular Formula

C22H24N4O5S (C22 H24 N4 O5 S)

Compound Name

1-(4-butoxyphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl 2-[(E)-1-(3,4-dihydroxyphenyl)methylidene]-1-hydrazinecarboximidothioate

IUPAC name

1-{[1-(4-butoxyphenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}-N-[(E)-[(34-dihydroxyphenyl)methylidene]amino]methanimidamide

SMILES

CCCCOc(cc1)ccc1N(C(CC1SC(N/N=C/c(cc2)cc(O)c2O)=N)=O)C1=O

InChI

InChI=1S/C22H24N4O5S/c1-2-3-10-31-16-7-5-15(6-8-16)26-20(29)12-19(21(26)30)32-22(23)25-24-13-14-4-9-17(27)18(28)11-14/h4-9,11,13,19,27-28H,2-3,10,12H2,1H3,(H2,23,25)/t19-/m0/s1

InChI Key

UFPDTFMODRGZGI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00624529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.675

Distribution Coefficient, logD

1.528

Water Solubility, LogSw

-2.92

Polar Surface Area

110.359

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

8003-3760 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8003-3760 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-3760?
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What is the minimum amount of 8003-3760 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-3760
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-3760
  • 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 8003-3760 available by request