4143-0066 Screening compound: 4-[3-({N-[(E)-[(furan-2-yl)methylidene]amino]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid

4143-0066 Screening compound: 4-[3-({N-[(E)-[(furan-2-yl)methylidene]amino]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
4143-0066 Screening compound: 4-[3-({N-[(E)-[(furan-2-yl)methylidene]amino]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4143-0066
4-[3-({N-[(E)-[(furan-2-yl)methylidene]amino]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]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

4143-0066

Molecular Formula

C17H14N4O5S (C17 H14 N4 O5 S)

Compound Name

4-[3-({N-[(E)-[(furan-2-yl)methylidene]amino]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid

IUPAC name

4-[3-({N-[(E)-[(furan-2-yl)methylidene]amino]carbamimidoyl}sulfanyl)-25-dioxopyrrolidin-1-yl]benzoic acid

SMILES

N=C(N/N=C/c1ccco1)SC(CC(N1c(cc2)ccc2C(O)=O)=O)C1=O

InChI

InChI=1S/C17H14N4O5S/c18-17(20-19-9-12-2-1-7-26-12)27-13-8-14(22)21(15(13)23)11-5-3-10(4-6-11)16(24)25/h1-7,9,13H,8H2,(H2,18,20)(H,24,25)/t13-/m0/s1

InChI Key

ZCHKFLYVEMBGOV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00627759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.615

Distribution Coefficient, logD

1.615

Water Solubility, LogSw

-2.31

Polar Surface Area

106.002

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 4143-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4143-0066?
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What is the minimum amount of 4143-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4143-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4143-0066
  • 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 4143-0066 available by request