G396-0608 Screening compound: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid

G396-0608 Screening compound: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid
G396-0608 Screening compound: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0608
1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]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

G396-0608

Molecular Formula

C25H27ClN2O2 (C25 H27 ClN2 O2)

Compound Name

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

IUPAC name

1-[(4-chlorophenyl)methyl]-25-dimethyl-4-{[(1234-tetrahydronaphthalen-1-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNC(CCC2)c3c2cccc3)c(C(O)=O)c(C)n1Cc(cc1)ccc1Cl

InChI

InChI=1S/C25H27ClN2O2/c1-16-22(14-27-23-9-5-7-19-6-3-4-8-21(19)23)24(25(29)30)17(2)28(16)15-18-10-12-20(26)13-11-18/h3-4,6,8,10-13,23,27H,5,7,9,14-15H2,1-2H3,(H,29,30)/t23-/m0/s1

InChI Key

BPEYMZAHUAJTCC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15008362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.030

Distribution Coefficient, logD

5.030

Water Solubility, LogSw

-4.88

Polar Surface Area

41.745

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

G396-0608 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G396-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0608?
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What is the minimum amount of G396-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0608
  • 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 G396-0608 available by request