3254-0899 Screening compound: 4-[(E)-({2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}imino)methyl]benzoic acid

3254-0899 Screening compound: 4-[(E)-({2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}imino)methyl]benzoic acid
3254-0899 Screening compound: 4-[(E)-({2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}imino)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-0899
4-[(E)-({2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]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

3254-0899

Molecular Formula

C18H16N4O3S (C18 H16 N4 O3 S)

Compound Name

4-[(E)-({2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}imino)methyl]benzoic acid

IUPAC name

4-[(E)-({2-[(1-methyl-1H-13-benzodiazol-2-yl)sulfanyl]acetamido}imino)methyl]benzoic acid

SMILES

Cn1c(SCC(N/N=C/c(cc2)ccc2C(O)=O)=O)nc2c1cccc2

InChI

InChI=1S/C18H16N4O3S/c1-22-15-5-3-2-4-14(15)20-18(22)26-11-16(23)21-19-10-12-6-8-13(9-7-12)17(24)25/h2-10H,11H2,1H3,(H,21,23)(H,24,25)

InChI Key

UGKJHSXWCOXWQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02076959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.064

Distribution Coefficient, logD

-0.543

Water Solubility, LogSw

-3.22

Polar Surface Area

75.341

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3254-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-0899?
Check Price and Availability of 3254-0899, 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 3254-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-0899
  • 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 3254-0899 available by request