3448-7533 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-dimethyl-1H-1,3-benzodiazole

3448-7533 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-dimethyl-1H-1,3-benzodiazole
3448-7533 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-dimethyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-7533
2-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-dimethyl-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

3448-7533

Molecular Formula

C16H15ClN2S (C16 H15 ClN2 S)

Compound Name

2-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-dimethyl-1H-1,3-benzodiazole

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-56-dimethyl-1H-13-benzodiazole

SMILES

Cc(c(C)c1)cc([nH]2)c1nc2SCc1cccc(Cl)c1

InChI

InChI=1S/C16H15ClN2S/c1-10-6-14-15(7-11(10)2)19-16(18-14)20-9-12-4-3-5-13(17)8-12/h3-8H,9H2,1-2H3,(H,18,19)

InChI Key

HSBRPJRFQLXNPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02103052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.83

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.311

Distribution Coefficient, logD

5.295

Water Solubility, LogSw

-5.88

Polar Surface Area

17.980

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

3448-7533 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 3448-7533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-7533?
Check Price and Availability of 3448-7533, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3448-7533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-7533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-7533
  • 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 3448-7533 available by request