E203-0091 Screening compound: 1-(2,5-dimethylphenyl)-4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine

E203-0091 Screening compound: 1-(2,5-dimethylphenyl)-4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine
E203-0091 Screening compound: 1-(2,5-dimethylphenyl)-4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E203-0091
1-(2,5-dimethylphenyl)-4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine

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

E203-0091

Molecular Formula

C22H30N4O3S (C22 H30 N4 O3 S)

Compound Name

1-(2,5-dimethylphenyl)-4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine

IUPAC name

1-(25-dimethylphenyl)-4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine

SMILES

Cc1cc(N(CC2)CCN2C(c2cc(S(N3CCCC3)(=O)=O)cn2C)=O)c(C)cc1

InChI

InChI=1S/C22H30N4O3S/c1-17-6-7-18(2)20(14-17)24-10-12-25(13-11-24)22(27)21-15-19(16-23(21)3)30(28,29)26-8-4-5-9-26/h6-7,14-16H,4-5,8-13H2,1-3H3

InChI Key

JTCVRLSGGUJXGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.030

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-3.27

Polar Surface Area

54.233

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E203-0091 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 E203-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E203-0091?
Check Price and Availability of E203-0091, 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 E203-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E203-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E203-0091
  • 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 E203-0091 available by request