C679-5848 Screening compound: N-[4-({2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

C679-5848 Screening compound: N-[4-({2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide
C679-5848 Screening compound: N-[4-({2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-5848
N-[4-({2-cyclohexyl-5-oxo-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

C679-5848

Molecular Formula

C25H24N4O3S (C25 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccccc1)Nc(cc1)ccc1OCC(N=C1SC(C2CCCCC2)=NN11)=CC1=O

InChI

InChI=1S/C25H24N4O3S/c30-22-15-20(27-25-29(22)28-24(33-25)18-9-5-2-6-10-18)16-32-21-13-11-19(12-14-21)26-23(31)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,18H,2,5-6,9-10,16H2,(H,26,31)

InChI Key

QCJIVEIPSLXKKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.811

Distribution Coefficient, logD

4.811

Water Solubility, LogSw

-4.68

Polar Surface Area

68.782

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C679-5848 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C679-5848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-5848?
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What is the minimum amount of C679-5848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-5848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-5848
  • 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 C679-5848 available by request