G800-0012 Screening compound: ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]4-chlorobenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate

G800-0012 Screening compound: ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]4-chlorobenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate
G800-0012 Screening compound: ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]4-chlorobenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G800-0012
ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]4-chlorobenzenesulfonamido}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

G800-0012

Molecular Formula

C24H27ClN2O4S (C24 H27 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(CN(Cc2ccc(C)cc2)S(c(cc2)ccc2Cl)(=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C24H27ClN2O4S/c1-5-31-24(28)23-17(3)22(18(4)26-23)15-27(14-19-8-6-16(2)7-9-19)32(29,30)21-12-10-20(25)11-13-21/h6-13,26H,5,14-15H2,1-4H3

InChI Key

LXBTVCQXFFVFHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.01

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

5.687

Distribution Coefficient, logD

5.687

Water Solubility, LogSw

-5.85

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

29.20

References: we are preparing a list of scientific research reports with G800-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G800-0012?
Check Price and Availability of G800-0012, 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 G800-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G800-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G800-0012
  • 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 G800-0012 available by request