G396-1817 Screening compound: 1-(4-chlorophenyl)-4-({[(4-ethylphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

G396-1817 Screening compound: 1-(4-chlorophenyl)-4-({[(4-ethylphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
G396-1817 Screening compound: 1-(4-chlorophenyl)-4-({[(4-ethylphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-1817
1-(4-chlorophenyl)-4-({[(4-ethylphenyl)methyl]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

G396-1817

Molecular Formula

C23H25ClN2O2 (C23 H25 ClN2 O2)

Compound Name

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

IUPAC name

1-(4-chlorophenyl)-4-({[(4-ethylphenyl)methyl]amino}methyl)-25-dimethyl-1H-pyrrole-3-carboxylic acid

SMILES

CCc1ccc(CNCc(c(C(O)=O)c2C)c(C)n2-c(cc2)ccc2Cl)cc1

InChI

InChI=1S/C23H25ClN2O2/c1-4-17-5-7-18(8-6-17)13-25-14-21-15(2)26(16(3)22(21)23(27)28)20-11-9-19(24)10-12-20/h5-12,25H,4,13-14H2,1-3H3,(H,27,28)

InChI Key

KYHZDKNEINUSAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.92

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

4.979

Distribution Coefficient, logD

4.979

Water Solubility, LogSw

-4.93

Polar Surface Area

42.853

Acid Dissociation Constant (pKa)

4.30

Base Dissociation Constant (pKb)

11.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G396-1817 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G396-1817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-1817?
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What is the minimum amount of G396-1817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-1817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-1817
  • 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 G396-1817 available by request