4757-1184 Screening compound: 2-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]benzoic acid

4757-1184 Screening compound: 2-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]benzoic acid
4757-1184 Screening compound: 2-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4757-1184
2-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]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

4757-1184

Molecular Formula

C14H12N4O3S (C14 H12 N4 O3 S)

Compound Name

2-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]benzoic acid

IUPAC name

2-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]benzoic acid

SMILES

OC(c1c(/C=N/NC(CSc2ncccn2)=O)cccc1)=O

InChI

InChI=1S/C14H12N4O3S/c19-12(9-22-14-15-6-3-7-16-14)18-17-8-10-4-1-2-5-11(10)13(20)21/h1-8H,9H2,(H,18,19)(H,20,21)

InChI Key

QIUNCXAKHUTPAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02136150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.549

Distribution Coefficient, logD

-1.871

Water Solubility, LogSw

-2.55

Polar Surface Area

81.906

Acid Dissociation Constant (pKa)

3.98

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 4757-1184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4757-1184?
Check Price and Availability of 4757-1184, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4757-1184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4757-1184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4757-1184
  • 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 4757-1184 available by request