G955-0052 Screening compound: 1,4-dimethyl-2-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)-1H-pyrrole-3-carboxylic acid

G955-0052 Screening compound: 1,4-dimethyl-2-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)-1H-pyrrole-3-carboxylic acid
G955-0052 Screening compound: 1,4-dimethyl-2-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G955-0052
1,4-dimethyl-2-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)-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

G955-0052

Molecular Formula

C15H23N3O4 (C15 H23 N3 O4)

Compound Name

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

IUPAC name

14-dimethyl-2-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)-1H-pyrrole-3-carboxylic acid

SMILES

Cc1cn(C)c(CC(NCCN2CCOCC2)=O)c1C(O)=O

InChI

InChI=1S/C15H23N3O4/c1-11-10-17(2)12(14(11)15(20)21)9-13(19)16-3-4-18-5-7-22-8-6-18/h10H,3-9H2,1-2H3,(H,16,19)(H,20,21)

InChI Key

HLAFFHQBHZJEBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27213971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.520

Distribution Coefficient, logD

-2.319

Water Solubility, LogSw

-0.81

Polar Surface Area

67.146

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

G955-0052 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 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 G955-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G955-0052?
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What is the minimum amount of G955-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G955-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G955-0052
  • 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 G955-0052 available by request