G397-0026 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

G397-0026 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
G397-0026 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0026
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

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

G397-0026

Molecular Formula

C21H27N5O4S (C21 H27 N5 O4 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]pyrrolidine-2-carboxamide

SMILES

COc(ccc(CCNC(C(CCC1)N1c1nnc(N(CCC2)C2=O)s1)=O)c1)c1OC

InChI

InChI=1S/C21H27N5O4S/c1-29-16-8-7-14(13-17(16)30-2)9-10-22-19(28)15-5-3-11-25(15)20-23-24-21(31-20)26-12-4-6-18(26)27/h7-8,13,15H,3-6,9-12H2,1-2H3,(H,22,28)/t15-/m0/s1

InChI Key

JVLIDBZXSDRADN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15008771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.519

Distribution Coefficient, logD

1.519

Water Solubility, LogSw

-2.34

Polar Surface Area

83.217

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

G397-0026 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with G397-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0026?
Check Price and Availability of G397-0026, 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 G397-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0026
  • 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 G397-0026 available by request