G271-0145 Screening compound: N-(3-cyanophenyl)-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]acetamide

G271-0145 Screening compound: N-(3-cyanophenyl)-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]acetamide
G271-0145 Screening compound: N-(3-cyanophenyl)-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G271-0145
N-(3-cyanophenyl)-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]acetamide

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

G271-0145

Molecular Formula

C16H17N5O3S (C16 H17 N5 O3 S)

Compound Name

N-(3-cyanophenyl)-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]acetamide

IUPAC name

N-(3-cyanophenyl)-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]acetamide

SMILES

N#Cc1cccc(NC(Cn2cnc(S(N3CCCC3)(=O)=O)c2)=O)c1

InChI

InChI=1S/C16H17N5O3S/c17-9-13-4-3-5-14(8-13)19-15(22)10-20-11-16(18-12-20)25(23,24)21-6-1-2-7-21/h3-5,8,11-12H,1-2,6-7,10H2,(H,19,22)

InChI Key

ZKJGHQGYELRKMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14992654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.299

Distribution Coefficient, logD

1.299

Water Solubility, LogSw

-2.44

Polar Surface Area

84.359

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

G271-0145 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with G271-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G271-0145?
Check Price and Availability of G271-0145, 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 G271-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G271-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G271-0145
  • 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 G271-0145 available by request