G955-0085 Screening compound: 2-{[(3-chlorophenyl)(ethyl)carbamoyl]methyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid

G955-0085 Screening compound: 2-{[(3-chlorophenyl)(ethyl)carbamoyl]methyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
G955-0085 Screening compound: 2-{[(3-chlorophenyl)(ethyl)carbamoyl]methyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G955-0085
2-{[(3-chlorophenyl)(ethyl)carbamoyl]methyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid

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

G955-0085

Molecular Formula

C17H19ClN2O3 (C17 H19 ClN2 O3)

Compound Name

2-{[(3-chlorophenyl)(ethyl)carbamoyl]methyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid

IUPAC name

2-{[(3-chlorophenyl)(ethyl)carbamoyl]methyl}-14-dimethyl-1H-pyrrole-3-carboxylic acid

SMILES

CCN(C(Cc1c(C(O)=O)c(C)cn1C)=O)c1cccc(Cl)c1

InChI

InChI=1S/C17H19ClN2O3/c1-4-20(13-7-5-6-12(18)8-13)15(21)9-14-16(17(22)23)11(2)10-19(14)3/h5-8,10H,4,9H2,1-3H3,(H,22,23)

InChI Key

QDAKVFRYLABIOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27213985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.243

Distribution Coefficient, logD

1.443

Water Solubility, LogSw

-3.39

Polar Surface Area

46.033

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

G955-0085 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G955-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G955-0085?
Check Price and Availability of G955-0085, 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 G955-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G955-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G955-0085
  • 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 G955-0085 available by request