G397-0850 Screening compound: 1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide

G397-0850 Screening compound: 1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
G397-0850 Screening compound: 1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0850
1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide

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

G397-0850

Molecular Formula

C19H27N7O2S (C19 H27 N7 O2 S)

Compound Name

1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide

IUPAC name

1-[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]-N-[(135-trimethyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

SMILES

Cc1c(CNC(C(CC2)CCN2c2nnc(N(CCC3)C3=O)s2)=O)c(C)nn1C

InChI

InChI=1S/C19H27N7O2S/c1-12-15(13(2)24(3)23-12)11-20-17(28)14-6-9-25(10-7-14)18-21-22-19(29-18)26-8-4-5-16(26)27/h14H,4-11H2,1-3H3,(H,20,28)

InChI Key

WFNNWGGSQZJAFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.777

Distribution Coefficient, logD

0.777

Water Solubility, LogSw

-1.66

Polar Surface Area

82.894

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

G397-0850 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G397-0850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0850?
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What is the minimum amount of G397-0850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0850
  • 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 G397-0850 available by request