G768-0873 Screening compound: 7-{[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

G768-0873 Screening compound: 7-{[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
G768-0873 Screening compound: 7-{[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G768-0873
7-{[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-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

G768-0873

Molecular Formula

C28H33N5O3S (C28 H33 N5 O3 S)

Compound Name

7-{[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

2-(3-methoxyphenyl)-7-({4-[(3R5S7s)-adamantane-1-carbonyl]piperazin-1-yl}methyl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

COc1cccc(C(SC2=NC(CN(CC3)CCN3C(C3(C[C@H](C4)C5)C[C@H]5C[C@H]4C3)=O)=C3)=NN2C3=O)c1

InChI

InChI=1S/C28H33N5O3S/c1-36-23-4-2-3-21(12-23)25-30-33-24(34)13-22(29-27(33)37-25)17-31-5-7-32(8-6-31)26(35)28-14-18-9-19(15-28)11-20(10-18)16-28/h2-4,12-13,18-20H,5-11,14-17H2,1H3

InChI Key

QQQNPHBMGFHEDV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.239

Distribution Coefficient, logD

4.219

Water Solubility, LogSw

-4.38

Polar Surface Area

66.037

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

G768-0873 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G768-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G768-0873?
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What is the minimum amount of G768-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G768-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G768-0873
  • 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 G768-0873 available by request