4143-0039 Screening compound: 4-[2,5-dioxo-3-({N-[(E)-[(pyridin-2-yl)methylidene]amino]carbamimidoyl}sulfanyl)pyrrolidin-1-yl]benzoic acid

4143-0039 Screening compound: 4-[2,5-dioxo-3-({N-[(E)-[(pyridin-2-yl)methylidene]amino]carbamimidoyl}sulfanyl)pyrrolidin-1-yl]benzoic acid
4143-0039 Screening compound: 4-[2,5-dioxo-3-({N-[(E)-[(pyridin-2-yl)methylidene]amino]carbamimidoyl}sulfanyl)pyrrolidin-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4143-0039
4-[2,5-dioxo-3-({N-[(E)-[(pyridin-2-yl)methylidene]amino]carbamimidoyl}sulfanyl)pyrrolidin-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

4143-0039

Molecular Formula

C18H15N5O4S (C18 H15 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

N=C(N/N=C/c1ncccc1)SC(CC(N1c(cc2)ccc2C(O)=O)=O)C1=O

InChI

InChI=1S/C18H15N5O4S/c19-18(22-21-10-12-3-1-2-8-20-12)28-14-9-15(24)23(16(14)25)13-6-4-11(5-7-13)17(26)27/h1-8,10,14H,9H2,(H2,19,22)(H,26,27)/t14-/m0/s1

InChI Key

OKGKKUQVEYDASY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02207493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.41

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

1.036

Distribution Coefficient, logD

1.036

Water Solubility, LogSw

-2.27

Polar Surface Area

107.796

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 4143-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4143-0039?
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What is the minimum amount of 4143-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4143-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4143-0039
  • 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 4143-0039 available by request