C679-0474 Screening compound: (2E)-2-cyano-3-[3-methoxy-4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enamide

C679-0474 Screening compound: (2E)-2-cyano-3-[3-methoxy-4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enamide
C679-0474 Screening compound: (2E)-2-cyano-3-[3-methoxy-4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-0474
(2E)-2-cyano-3-[3-methoxy-4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]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

C679-0474

Molecular Formula

C20H19N5O4S (C20 H19 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H19N5O4S/c1-3-4-17-24-25-18(26)9-14(23-20(25)30-17)11-29-15-6-5-12(8-16(15)28-2)7-13(10-21)19(22)27/h5-9H,3-4,11H2,1-2H3,(H2,22,27)

InChI Key

YPTDQIYIUGZTGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.984

Distribution Coefficient, logD

1.980

Water Solubility, LogSw

-2.59

Polar Surface Area

104.506

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C679-0474 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C679-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-0474?
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What is the minimum amount of C679-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-0474
  • 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 C679-0474 available by request