3202-0031 Screening compound: N-{5-[2-(BENZYLAMINO)-2-OXOETHYL]-1,3,4-THIADIAZOL-2-YL}-3,4,5-TRIMETHOXYBENZAMIDE

3202-0031 Screening compound: N-{5-[2-(BENZYLAMINO)-2-OXOETHYL]-1,3,4-THIADIAZOL-2-YL}-3,4,5-TRIMETHOXYBENZAMIDE
3202-0031 Screening compound: N-{5-[2-(BENZYLAMINO)-2-OXOETHYL]-1,3,4-THIADIAZOL-2-YL}-3,4,5-TRIMETHOXYBENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0031
N-{5-[2-(BENZYLAMINO)-2-OXOETHYL]-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

3202-0031

Molecular Formula

C21H22N4O5S (C21 H22 N4 O5 S)

Compound Name

N-{5-[2-(BENZYLAMINO)-2-OXOETHYL]-1,3,4-THIADIAZOL-2-YL}-3,4,5-TRIMETHOXYBENZAMIDE

IUPAC name

n/a

SMILES

COc1cc(C(Nc2nnc(CC(NCc3ccccc3)=O)s2)=O)cc(OC)c1OC

InChI

InChI=1S/C21H22N4O5S/c1-28-15-9-14(10-16(29-2)19(15)30-3)20(27)23-21-25-24-18(31-21)11-17(26)22-12-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,22,26)(H,23,25,27)

InChI Key

ODWZDXXEFFBHDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.480

Water Solubility, LogSw

-3.08

Polar Surface Area

94.548

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

3202-0031 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Dark Chemical Matter Library (18430 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3202-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0031?
Check Price and Availability of 3202-0031, 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 3202-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0031
  • 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 3202-0031 available by request