3202-0109 Screening compound: N-[5-(2-{[(4-chlorophenyl)methyl]sulfanyl}phenyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide

3202-0109 Screening compound: N-[5-(2-{[(4-chlorophenyl)methyl]sulfanyl}phenyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
3202-0109 Screening compound: N-[5-(2-{[(4-chlorophenyl)methyl]sulfanyl}phenyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0109
N-[5-(2-{[(4-chlorophenyl)methyl]sulfanyl}phenyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide

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

3202-0109

Molecular Formula

C22H15ClFN3OS2 (C22 H15 ClFN3 OS2)

Compound Name

N-[5-(2-{[(4-chlorophenyl)methyl]sulfanyl}phenyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide

IUPAC name

N-[5-(2-{[(4-chlorophenyl)methyl]sulfanyl}phenyl)-134-thiadiazol-2-yl]-4-fluorobenzamide

SMILES

O=C(c(cc1)ccc1F)Nc1nnc(-c(cccc2)c2SCc(cc2)ccc2Cl)s1

InChI

InChI=1S/C22H15ClFN3OS2/c23-16-9-5-14(6-10-16)13-29-19-4-2-1-3-18(19)21-26-27-22(30-21)25-20(28)15-7-11-17(24)12-8-15/h1-12H,13H2,(H,25,27,28)

InChI Key

NRYAKOAEGPETDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02071632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.899

Distribution Coefficient, logD

5.865

Water Solubility, LogSw

-6.12

Polar Surface Area

46.331

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

3202-0109 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3202-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0109?
Check Price and Availability of 3202-0109, 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 3202-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0109
  • 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 3202-0109 available by request