G242-0174 Screening compound: 1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-4-ethylpiperazine

G242-0174 Screening compound: 1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-4-ethylpiperazine
G242-0174 Screening compound: 1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G242-0174
1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-4-ethylpiperazine

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

G242-0174

Molecular Formula

C17H28N4O3S (C17 H28 N4 O3 S)

Compound Name

1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-4-ethylpiperazine

IUPAC name

1-{[25-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-4-ethylpiperazine

SMILES

CCN(CC1)CCN1S(c1c(C)[nH]c(C)c1C(N1CCCC1)=O)(=O)=O

InChI

InChI=1S/C17H28N4O3S/c1-4-19-9-11-21(12-10-19)25(23,24)16-14(3)18-13(2)15(16)17(22)20-7-5-6-8-20/h18H,4-12H2,1-3H3

InChI Key

VYYYMYXYVILYMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14989606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.835

Distribution Coefficient, logD

0.748

Water Solubility, LogSw

-1.71

Polar Surface Area

63.288

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.60

G242-0174 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G242-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G242-0174?
Check Price and Availability of G242-0174, 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 G242-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G242-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G242-0174
  • 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 G242-0174 available by request