G015-1128 Screening compound: N-(3-methylbutyl)-1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide

G015-1128 Screening compound: N-(3-methylbutyl)-1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
G015-1128 Screening compound: N-(3-methylbutyl)-1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G015-1128
N-(3-methylbutyl)-1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-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

G015-1128

Molecular Formula

C17H25N5OS (C17 H25 N5 OS)

Compound Name

N-(3-methylbutyl)-1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide

IUPAC name

N-(3-methylbutyl)-1-[5-(piperidin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide

SMILES

CC(C)CCNC(c1cccn1-c1nnc(N2CCCCC2)s1)=O

InChI

InChI=1S/C17H25N5OS/c1-13(2)8-9-18-15(23)14-7-6-12-22(14)17-20-19-16(24-17)21-10-4-3-5-11-21/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,18,23)

InChI Key

RJJDSDXADVYRSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.957

Distribution Coefficient, logD

3.957

Water Solubility, LogSw

-3.77

Polar Surface Area

53.400

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

G015-1128 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 G015-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G015-1128?
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What is the minimum amount of G015-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G015-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G015-1128
  • 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 G015-1128 available by request