G397-1612 Screening compound: 1-(5-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)piperidin-2-one

G397-1612 Screening compound: 1-(5-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)piperidin-2-one
G397-1612 Screening compound: 1-(5-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)piperidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-1612
1-(5-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)piperidin-2-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

G397-1612

Molecular Formula

C21H28N8O2S (C21 H28 N8 O2 S)

Compound Name

1-(5-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)piperidin-2-one

IUPAC name

1-(5-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-134-thiadiazol-2-yl)piperidin-2-one

SMILES

O=C(C(CC1)CCN1c1nnc(N(CCCC2)C2=O)s1)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C21H28N8O2S/c30-17-4-1-2-9-29(17)21-25-24-20(32-21)28-10-5-16(6-11-28)18(31)26-12-14-27(15-13-26)19-22-7-3-8-23-19/h3,7-8,16H,1-2,4-6,9-15H2

InChI Key

DROYSTBASZXJEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15009082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.864

Distribution Coefficient, logD

1.864

Water Solubility, LogSw

-1.95

Polar Surface Area

81.546

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

G397-1612 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 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 G397-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-1612?
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What is the minimum amount of G397-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-1612
  • 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 G397-1612 available by request