C592-4029 Screening compound: 2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide

C592-4029 Screening compound: 2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
C592-4029 Screening compound: 2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-4029
2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide

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

C592-4029

Molecular Formula

C25H25N5OS (C25 H25 N5 OS)

Compound Name

2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide

IUPAC name

2-{[4-phenyl-5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide

SMILES

CC(CCc1ccccc1)NC(CSc1nnc(-c2ccncc2)n1-c1ccccc1)=O

InChI

InChI=1S/C25H25N5OS/c1-19(12-13-20-8-4-2-5-9-20)27-23(31)18-32-25-29-28-24(21-14-16-26-17-15-21)30(25)22-10-6-3-7-11-22/h2-11,14-17,19H,12-13,18H2,1H3,(H,27,31)/t19-/m0/s1

InChI Key

XYIDVBIVYKDXJX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05431947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

4.043

Water Solubility, LogSw

-3.99

Polar Surface Area

58.054

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C592-4029 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C592-4029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-4029?
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What is the minimum amount of C592-4029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-4029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-4029
  • 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 C592-4029 available by request