C679-6563 Screening compound: 2-chloro-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

C679-6563 Screening compound: 2-chloro-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide
C679-6563 Screening compound: 2-chloro-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-6563
2-chloro-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]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

C679-6563

Molecular Formula

C22H19ClN4O3S (C22 H19 ClN4 O3 S)

Compound Name

2-chloro-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

IUPAC name

2-chloro-N-[4-({5-oxo-2-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

SMILES

CCCC(SC1=NC(COc(cc2)ccc2NC(c(cccc2)c2Cl)=O)=C2)=NN1C2=O

InChI

InChI=1S/C22H19ClN4O3S/c1-2-5-19-26-27-20(28)12-15(25-22(27)31-19)13-30-16-10-8-14(9-11-16)24-21(29)17-6-3-4-7-18(17)23/h3-4,6-12H,2,5,13H2,1H3,(H,24,29)

InChI Key

HPKMNWWYNYQDPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.463

Distribution Coefficient, logD

4.457

Water Solubility, LogSw

-4.48

Polar Surface Area

68.765

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C679-6563 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C679-6563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-6563?
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What is the minimum amount of C679-6563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-6563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-6563
  • 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 C679-6563 available by request