G397-0691 Screening compound: 1-{5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one

G397-0691 Screening compound: 1-{5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one
G397-0691 Screening compound: 1-{5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0691
1-{5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-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

G397-0691

Molecular Formula

C19H30N6O2S (C19 H30 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CC1)CCN1C(C(CC1)CCN1c1nnc(N(CCC2)C2=O)s1)=O

InChI

InChI=1S/C19H30N6O2S/c1-2-7-22-11-13-23(14-12-22)17(27)15-5-9-24(10-6-15)18-20-21-19(28-18)25-8-3-4-16(25)26/h15H,2-14H2,1H3

InChI Key

UWTCKGUIGYXHRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.574

Distribution Coefficient, logD

1.123

Water Solubility, LogSw

-1.67

Polar Surface Area

64.080

Acid Dissociation Constant (pKa)

15.59

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.90

G397-0691 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 G397-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0691?
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What is the minimum amount of G397-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0691
  • 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 G397-0691 available by request