C679-6612 Screening compound: N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methanesulfonamide

C679-6612 Screening compound: N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methanesulfonamide
C679-6612 Screening compound: N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-6612
N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methanesulfonamide

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

C679-6612

Molecular Formula

C16H18N4O4S2 (C16 H18 N4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCC(SC1=NC(COc(cc2)ccc2NS(C)(=O)=O)=C2)=NN1C2=O

InChI

InChI=1S/C16H18N4O4S2/c1-3-4-14-18-20-15(21)9-12(17-16(20)25-14)10-24-13-7-5-11(6-8-13)19-26(2,22)23/h5-9,19H,3-4,10H2,1-2H3

InChI Key

IRRLLIWOERQFJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.116

Distribution Coefficient, logD

2.103

Water Solubility, LogSw

-2.78

Polar Surface Area

87.541

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with C679-6612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-6612?
Check Price and Availability of C679-6612, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C679-6612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-6612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-6612
  • 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 C679-6612 available by request