G800-0019 Screening compound: ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]2-methylbenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate

G800-0019 Screening compound: ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]2-methylbenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate
G800-0019 Screening compound: ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]2-methylbenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G800-0019
ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]2-methylbenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate

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

G800-0019

Molecular Formula

C25H30N2O4S (C25 H30 N2 O4 S)

Compound Name

ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]2-methylbenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 35-dimethyl-4-({N-[(4-methylphenyl)methyl]2-methylbenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(Cc2ccc(C)cc2)S(c2c(C)cccc2)(=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C25H30N2O4S/c1-6-31-25(28)24-19(4)22(20(5)26-24)16-27(15-21-13-11-17(2)12-14-21)32(29,30)23-10-8-7-9-18(23)3/h7-14,26H,6,15-16H2,1-5H3

InChI Key

PBOIIYUVBRFMRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.219

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.03

Polar Surface Area

63.077

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

G800-0019 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G800-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G800-0019?
Check Price and Availability of G800-0019, 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 G800-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G800-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G800-0019
  • 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 G800-0019 available by request