G397-0099 Screening compound: 1-(5-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one

G397-0099 Screening compound: 1-(5-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
G397-0099 Screening compound: 1-(5-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0099
1-(5-{2-[4-(4-fluorophenyl)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

G397-0099

Molecular Formula

C21H25FN6O2S (C21 H25 FN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CCC1)N1c1nnc(N(CCC2)C2=O)s1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C21H25FN6O2S/c22-15-5-7-16(8-6-15)25-11-13-26(14-12-25)19(30)17-3-1-9-27(17)20-23-24-21(31-20)28-10-2-4-18(28)29/h5-8,17H,1-4,9-14H2/t17-/m0/s1

InChI Key

QPOBQJOTCOFFPK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15008781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

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

2.296

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-2.47

Polar Surface Area

63.610

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

G397-0099 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G397-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0099?
Check Price and Availability of G397-0099, 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 G397-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0099
  • 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 G397-0099 available by request