C885-0304 Screening compound: 2-[3-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C885-0304 Screening compound: 2-[3-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C885-0304 Screening compound: 2-[3-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-0304
2-[3-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

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

C885-0304

Molecular Formula

C22H32N6O2S (C22 H32 N6 O2 S)

Compound Name

2-[3-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

2-[3-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CC(N=C1SC(N(CCC2)CC2C(N(CC2)CCN2C2CCCCC2)=O)=NN11)=CC1=O

InChI

InChI=1S/C22H32N6O2S/c1-16-14-19(29)28-21(23-16)31-22(24-28)27-9-5-6-17(15-27)20(30)26-12-10-25(11-13-26)18-7-3-2-4-8-18/h14,17-18H,2-13,15H2,1H3/t17-/m0/s1

InChI Key

KJIWUCMZKQKVPW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14805172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.169

Distribution Coefficient, logD

1.757

Water Solubility, LogSw

-2.14

Polar Surface Area

60.646

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.70

C885-0304 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C885-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-0304?
Check Price and Availability of C885-0304, 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 C885-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-0304
  • 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 C885-0304 available by request