C679-0473 Screening compound: (2E)-2-cyano-3-[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)-3-methoxyphenyl]prop-2-enamide

C679-0473 Screening compound: (2E)-2-cyano-3-[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)-3-methoxyphenyl]prop-2-enamide
C679-0473 Screening compound: (2E)-2-cyano-3-[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)-3-methoxyphenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-0473
(2E)-2-cyano-3-[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)-3-methoxyphenyl]prop-2-enamide

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

C679-0473

Molecular Formula

C19H17N5O4S (C19 H17 N5 O4 S)

Compound Name

(2E)-2-cyano-3-[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)-3-methoxyphenyl]prop-2-enamide

IUPAC name

(2E)-2-cyano-3-[4-({2-ethyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)-3-methoxyphenyl]prop-2-enamide

SMILES

CCC(SC1=NC(COc(ccc(/C=C(/C(N)=O)\C#N)c2)c2OC)=C2)=NN1C2=O

InChI

InChI=1S/C19H17N5O4S/c1-3-16-23-24-17(25)8-13(22-19(24)29-16)10-28-14-5-4-11(7-15(14)27-2)6-12(9-20)18(21)26/h4-8H,3,10H2,1-2H3,(H2,21,26)

InChI Key

BTXPVGJEPFIASW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.447

Distribution Coefficient, logD

1.440

Water Solubility, LogSw

-2.41

Polar Surface Area

104.506

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C679-0473 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C679-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-0473?
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What is the minimum amount of C679-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-0473
  • 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 C679-0473 available by request