C679-5834 Screening compound: N-[3-({2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3-methylbenzamide

C679-5834 Screening compound: N-[3-({2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3-methylbenzamide
C679-5834 Screening compound: N-[3-({2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-5834
N-[3-({2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3-methylbenzamide

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

C679-5834

Molecular Formula

C26H26N4O3S (C26 H26 N4 O3 S)

Compound Name

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

IUPAC name

N-[3-({2-cyclohexyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]-3-methylbenzamide

SMILES

Cc1cccc(C(Nc2cccc(OCC(N=C3SC(C4CCCCC4)=NN33)=CC3=O)c2)=O)c1

InChI

InChI=1S/C26H26N4O3S/c1-17-7-5-10-19(13-17)24(32)27-20-11-6-12-22(14-20)33-16-21-15-23(31)30-26(28-21)34-25(29-30)18-8-3-2-4-9-18/h5-7,10-15,18H,2-4,8-9,16H2,1H3,(H,27,32)

InChI Key

GHLLXPXXSNIKJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

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

5.372

Distribution Coefficient, logD

5.371

Water Solubility, LogSw

-5.26

Polar Surface Area

68.782

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C679-5834 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C679-5834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-5834?
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What is the minimum amount of C679-5834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-5834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-5834
  • 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 C679-5834 available by request