8018-3433 Screening compound: 3-(diphenylmethyl)-4-methyl-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazole

8018-3433 Screening compound: 3-(diphenylmethyl)-4-methyl-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazole
8018-3433 Screening compound: 3-(diphenylmethyl)-4-methyl-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3433
3-(diphenylmethyl)-4-methyl-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazole

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

8018-3433

Molecular Formula

C21H20N4S2 (C21 H20 N4 S2)

Compound Name

3-(diphenylmethyl)-4-methyl-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazole

IUPAC name

3-(diphenylmethyl)-4-methyl-5-{[(2-methyl-13-thiazol-4-yl)methyl]sulfanyl}-4H-124-triazole

SMILES

Cc1nc(CSc2nnc(C(c3ccccc3)c3ccccc3)n2C)cs1

InChI

InChI=1S/C21H20N4S2/c1-15-22-18(13-26-15)14-27-21-24-23-20(25(21)2)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,19H,14H2,1-2H3

InChI Key

XWTQIHNEBULGMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.825

Distribution Coefficient, logD

4.825

Water Solubility, LogSw

-4.66

Polar Surface Area

35.086

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

8018-3433 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-3433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3433?
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What is the minimum amount of 8018-3433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3433
  • 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 8018-3433 available by request