G397-0033 Screening compound: ethyl 1-{1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carbonyl}piperidine-4-carboxylate

G397-0033 Screening compound: ethyl 1-{1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carbonyl}piperidine-4-carboxylate
G397-0033 Screening compound: ethyl 1-{1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carbonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0033
ethyl 1-{1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carbonyl}piperidine-4-carboxylate

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

G397-0033

Molecular Formula

C19H27N5O4S (C19 H27 N5 O4 S)

Compound Name

ethyl 1-{1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carbonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{1-[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]pyrrolidine-2-carbonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(CCC1)N1c1nnc(N(CCC2)C2=O)s1)=O)=O

InChI

InChI=1S/C19H27N5O4S/c1-2-28-17(27)13-7-11-22(12-8-13)16(26)14-5-3-9-23(14)18-20-21-19(29-18)24-10-4-6-15(24)25/h13-14H,2-12H2,1H3/t14-/m0/s1

InChI Key

WGNNAKDCUJEJNM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15008772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.422

Distribution Coefficient, logD

1.422

Water Solubility, LogSw

-1.75

Polar Surface Area

81.103

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.70

G397-0033 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 G397-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0033?
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What is the minimum amount of G397-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0033
  • 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 G397-0033 available by request