G070-0088 Screening compound: ethyl 4-({4-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate

G070-0088 Screening compound: ethyl 4-({4-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
G070-0088 Screening compound: ethyl 4-({4-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0088
ethyl 4-({4-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-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

G070-0088

Molecular Formula

C22H28ClN3O5S (C22 H28 ClN3 O5 S)

Compound Name

ethyl 4-({4-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 4-({4-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)-25-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C)c1S(N(CC1)CCC1C(Nc1cc(Cl)c(C)cc1)=O)(=O)=O)=O

InChI

InChI=1S/C22H28ClN3O5S/c1-5-31-22(28)19-14(3)24-15(4)20(19)32(29,30)26-10-8-16(9-11-26)21(27)25-17-7-6-13(2)18(23)12-17/h6-7,12,16,24H,5,8-11H2,1-4H3,(H,25,27)

InChI Key

RARGNQVQFHPHGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14978503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-4.38

Polar Surface Area

86.582

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

G070-0088 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G070-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0088?
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What is the minimum amount of G070-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0088
  • 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 G070-0088 available by request