G396-1781 Screening compound: 1-(4-chlorophenyl)-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

G396-1781 Screening compound: 1-(4-chlorophenyl)-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
G396-1781 Screening compound: 1-(4-chlorophenyl)-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-1781
1-(4-chlorophenyl)-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-2,5-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

G396-1781

Molecular Formula

C22H27ClN2O2 (C22 H27 ClN2 O2)

Compound Name

1-(4-chlorophenyl)-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

IUPAC name

1-(4-chlorophenyl)-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-25-dimethyl-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCCC2=CCCCC2)c(C(O)=O)c(C)n1-c(cc1)ccc1Cl

InChI

InChI=1S/C22H27ClN2O2/c1-15-20(14-24-13-12-17-6-4-3-5-7-17)21(22(26)27)16(2)25(15)19-10-8-18(23)9-11-19/h6,8-11,24H,3-5,7,12-14H2,1-2H3,(H,26,27)

InChI Key

HJXKMRDEXFXLCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.246

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.55

Polar Surface Area

42.887

Acid Dissociation Constant (pKa)

4.30

Base Dissociation Constant (pKb)

10.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G396-1781 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G396-1781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-1781?
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What is the minimum amount of G396-1781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-1781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-1781
  • 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 G396-1781 available by request