3202-0004 Screening compound: N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide

3202-0004 Screening compound: N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
3202-0004 Screening compound: N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0004
N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide

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

3202-0004

Molecular Formula

C20H21N3O4S2 (C20 H21 N3 O4 S2)

Compound Name

N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide

IUPAC name

N-{5-[(benzylsulfanyl)methyl]-134-thiadiazol-2-yl}-345-trimethoxybenzamide

SMILES

COc1cc(C(Nc2nnc(CSCc3ccccc3)s2)=O)cc(OC)c1OC

InChI

InChI=1S/C20H21N3O4S2/c1-25-15-9-14(10-16(26-2)18(15)27-3)19(24)21-20-23-22-17(29-20)12-28-11-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,21,23,24)

InChI Key

YYBWWLARDOFBSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02034224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.995

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.23

Polar Surface Area

70.076

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3202-0004 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3202-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0004?
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What is the minimum amount of 3202-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0004
  • 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 3202-0004 available by request