8013-3213 Screening compound: 3,5-dimethoxy-N-(prop-2-en-1-yl)-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide

8013-3213 Screening compound: 3,5-dimethoxy-N-(prop-2-en-1-yl)-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide
8013-3213 Screening compound: 3,5-dimethoxy-N-(prop-2-en-1-yl)-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3213
3,5-dimethoxy-N-(prop-2-en-1-yl)-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide

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

8013-3213

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

3,5-dimethoxy-N-(prop-2-en-1-yl)-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

35-dimethoxy-N-(prop-2-en-1-yl)-N-[5-(pyridin-4-yl)-134-thiadiazol-2-yl]benzamide

SMILES

COc1cc(C(N(CC=C)c2nnc(-c3ccncc3)s2)=O)cc(OC)c1

InChI

InChI=1S/C19H18N4O3S/c1-4-9-23(18(24)14-10-15(25-2)12-16(11-14)26-3)19-22-21-17(27-19)13-5-7-20-8-6-13/h4-8,10-12H,1,9H2,2-3H3

InChI Key

VATHJHAIAKGJEY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.155

Distribution Coefficient, logD

3.154

Water Solubility, LogSw

-3.08

Polar Surface Area

63.403

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 8013-3213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3213?
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What is the minimum amount of 8013-3213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3213
  • 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 8013-3213 available by request