G623-0027 Screening compound: 3-(4-methoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)propanoic acid

G623-0027 Screening compound: 3-(4-methoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)propanoic acid
G623-0027 Screening compound: 3-(4-methoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G623-0027
3-(4-methoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)propanoic 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

G623-0027

Molecular Formula

C12H13N3O3S (C12 H13 N3 O3 S)

Compound Name

3-(4-methoxyphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)propanoic acid

IUPAC name

n/a

SMILES

COc1ccc(C(CC(O)=O)Sc2nnc[nH]2)cc1

InChI

InChI=1S/C12H13N3O3S/c1-18-9-4-2-8(3-5-9)10(6-11(16)17)19-12-13-7-14-15-12/h2-5,7,10H,6H2,1H3,(H,16,17)(H,13,14,15)/t10-/m0/s1

InChI Key

HQJZIQOPXXZMJJ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD06750966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.785

Distribution Coefficient, logD

-1.853

Water Solubility, LogSw

-2.01

Polar Surface Area

70.320

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G623-0027 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with G623-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G623-0027?
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What is the minimum amount of G623-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G623-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G623-0027
  • 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 G623-0027 available by request