G397-0059 Screening compound: 1-(5-{2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one

G397-0059 Screening compound: 1-(5-{2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
G397-0059 Screening compound: 1-(5-{2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0059
1-(5-{2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-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

G397-0059

Molecular Formula

C23H30N6O2S (C23 H30 N6 O2 S)

Compound Name

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

IUPAC name

1-(5-{2-[4-(25-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-134-thiadiazol-2-yl)pyrrolidin-2-one

SMILES

Cc1cc(N(CC2)CCN2C(C(CCC2)N2c2nnc(N(CCC3)C3=O)s2)=O)c(C)cc1

InChI

InChI=1S/C23H30N6O2S/c1-16-7-8-17(2)19(15-16)26-11-13-27(14-12-26)21(31)18-5-3-9-28(18)22-24-25-23(32-22)29-10-4-6-20(29)30/h7-8,15,18H,3-6,9-14H2,1-2H3/t18-/m0/s1

InChI Key

ITTXBQJWANHWPC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15008778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.54

Polar Surface Area

63.309

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

G397-0059 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G397-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0059?
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What is the minimum amount of G397-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0059
  • 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 G397-0059 available by request