3728-1990 Screening compound: 4,5-dimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,3-benzodiazole

3728-1990 Screening compound: 4,5-dimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,3-benzodiazole
3728-1990 Screening compound: 4,5-dimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3728-1990
4,5-dimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,3-benzodiazole

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

3728-1990

Molecular Formula

C17H15F3N2S (C17 H15 F3 N2 S)

Compound Name

4,5-dimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,3-benzodiazole

IUPAC name

45-dimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-13-benzodiazole

SMILES

Cc(cc1)c(C)c2c1[nH]c(SCc1cc(C(F)(F)F)ccc1)n2

InChI

InChI=1S/C17H15F3N2S/c1-10-6-7-14-15(11(10)2)22-16(21-14)23-9-12-4-3-5-13(8-12)17(18,19)20/h3-8H,9H2,1-2H3,(H,21,22)

InChI Key

YTVLDNBAZIGSLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02951572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.060

Distribution Coefficient, logD

4.891

Water Solubility, LogSw

-4.75

Polar Surface Area

18.750

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3728-1990 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3728-1990 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3728-1990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3728-1990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3728-1990
  • 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 3728-1990 available by request