G397-0995 Screening compound: N-(3-METHYLBUTYL)-1-[5-(2-OXOPIPERIDIN-1-YL)-1,3,4-THIADIAZOL-2-YL]PYRROLIDINE-2-CARBOXAMIDE

G397-0995 Screening compound: N-(3-METHYLBUTYL)-1-[5-(2-OXOPIPERIDIN-1-YL)-1,3,4-THIADIAZOL-2-YL]PYRROLIDINE-2-CARBOXAMIDE
G397-0995 Screening compound: N-(3-METHYLBUTYL)-1-[5-(2-OXOPIPERIDIN-1-YL)-1,3,4-THIADIAZOL-2-YL]PYRROLIDINE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0995
N-(3-METHYLBUTYL)-1-[5-(2-OXOPIPERIDIN-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

G397-0995

Molecular Formula

C17H27N5O2S (C17 H27 N5 O2 S)

Compound Name

N-(3-METHYLBUTYL)-1-[5-(2-OXOPIPERIDIN-1-YL)-1,3,4-THIADIAZOL-2-YL]PYRROLIDINE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)CCNC(C(CCC1)N1c1nnc(N(CCCC2)C2=O)s1)=O

InChI

InChI=1S/C17H27N5O2S/c1-12(2)8-9-18-15(24)13-6-5-11-21(13)16-19-20-17(25-16)22-10-4-3-7-14(22)23/h12-13H,3-11H2,1-2H3,(H,18,24)/t13-/m0/s1

InChI Key

NETHHYXXGVEXCZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15008970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.215

Distribution Coefficient, logD

2.215

Water Solubility, LogSw

-2.41

Polar Surface Area

67.862

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.50

G397-0995 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G397-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0995?
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What is the minimum amount of G397-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0995
  • 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 G397-0995 available by request