G397-0040 Screening compound: 1-(5-{2-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one

G397-0040 Screening compound: 1-(5-{2-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
G397-0040 Screening compound: 1-(5-{2-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0040
1-(5-{2-[4-(4-nitrophenyl)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

G397-0040

Molecular Formula

C21H25N7O4S (C21 H25 N7 O4 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(C(CCC1)N1c1nnc(N(CCC2)C2=O)s1)=O)=O

InChI

InChI=1S/C21H25N7O4S/c29-18-4-2-10-27(18)21-23-22-20(33-21)26-9-1-3-17(26)19(30)25-13-11-24(12-14-25)15-5-7-16(8-6-15)28(31)32/h5-8,17H,1-4,9-14H2/t17-/m0/s1

InChI Key

ROUWKEOPSXBWPT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15008773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.192

Distribution Coefficient, logD

2.192

Water Solubility, LogSw

-2.35

Polar Surface Area

96.991

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

G397-0040 in Drug Discovery

Included in Screening Libraries

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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G397-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0040?
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What is the minimum amount of G397-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0040
  • 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 G397-0040 available by request