C679-6542 Screening compound: N-[3-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2H-1,3-benzodioxole-5-carboxamide

C679-6542 Screening compound: N-[3-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2H-1,3-benzodioxole-5-carboxamide
C679-6542 Screening compound: N-[3-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-6542
N-[3-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2H-1,3-benzodioxole-5-carboxamide

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

C679-6542

Molecular Formula

C23H20N4O5S (C23 H20 N4 O5 S)

Compound Name

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

IUPAC name

N-[3-({5-oxo-2-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]-2H-13-benzodioxole-5-carboxamide

SMILES

CCCC(SC1=NC(COc2cc(NC(c(cc3)cc4c3OCO4)=O)ccc2)=C2)=NN1C2=O

InChI

InChI=1S/C23H20N4O5S/c1-2-4-20-26-27-21(28)11-16(25-23(27)33-20)12-30-17-6-3-5-15(10-17)24-22(29)14-7-8-18-19(9-14)32-13-31-18/h3,5-11H,2,4,12-13H2,1H3,(H,24,29)

InChI Key

LRTYFBRPMMJOKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-4.17

Polar Surface Area

85.880

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C679-6542 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C679-6542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-6542?
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What is the minimum amount of C679-6542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-6542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-6542
  • 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 C679-6542 available by request