G396-1027 Screening compound: 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid

G396-1027 Screening compound: 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
G396-1027 Screening compound: 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-1027
1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}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

G396-1027

Molecular Formula

C23H25ClN2O2S (C23 H25 ClN2 O2 S)

Compound Name

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

IUPAC name

1-[(2-chlorophenyl)methyl]-25-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCc(cc2)ccc2SC)c(C(O)=O)c(C)n1Cc(cccc1)c1Cl

InChI

InChI=1S/C23H25ClN2O2S/c1-15-20(13-25-12-17-8-10-19(29-3)11-9-17)22(23(27)28)16(2)26(15)14-18-6-4-5-7-21(18)24/h4-11,25H,12-14H2,1-3H3,(H,27,28)

InChI Key

MPCKUFANCVTMFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.61

Polar Surface Area

42.110

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G396-1027 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G396-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-1027?
Check Price and Availability of G396-1027, 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 G396-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-1027
  • 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 G396-1027 available by request