8018-2693 Screening compound: 3-[(2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid

8018-2693 Screening compound: 3-[(2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
8018-2693 Screening compound: 3-[(2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2693
3-[(2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]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

8018-2693

Molecular Formula

C16H14N6O3S (C16 H14 N6 O3 S)

Compound Name

3-[(2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid

IUPAC name

n/a

SMILES

Cn1c(SCC(Nc2cc(C(O)=O)ccc2)=O)nnc1-c1nccnc1

InChI

InChI=1S/C16H14N6O3S/c1-22-14(12-8-17-5-6-18-12)20-21-16(22)26-9-13(23)19-11-4-2-3-10(7-11)15(24)25/h2-8H,9H2,1H3,(H,19,23)(H,24,25)

InChI Key

DTQQXBROAYRNTL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.330

Distribution Coefficient, logD

-1.556

Water Solubility, LogSw

-1.91

Polar Surface Area

95.174

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8018-2693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2693?
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What is the minimum amount of 8018-2693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2693
  • 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 8018-2693 available by request