F378-0431 Screening compound: ethyl 4-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

F378-0431 Screening compound: ethyl 4-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
F378-0431 Screening compound: ethyl 4-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F378-0431
ethyl 4-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-1,3,5-trimethyl-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

F378-0431

Molecular Formula

C20H26ClN3O4S (C20 H26 ClN3 O4 S)

Compound Name

ethyl 4-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-135-trimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(S(N(CC2)CCN2c(cc2)ccc2Cl)(=O)=O)c(C)n1C)=O

InChI

InChI=1S/C20H26ClN3O4S/c1-5-28-20(25)18-14(2)19(15(3)22(18)4)29(26,27)24-12-10-23(11-13-24)17-8-6-16(21)7-9-17/h6-9H,5,10-13H2,1-4H3

InChI Key

JKIAKDOPYXBTSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27121042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.183

Distribution Coefficient, logD

3.183

Water Solubility, LogSw

-3.46

Polar Surface Area

57.772

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

F378-0431 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F378-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F378-0431?
Check Price and Availability of F378-0431, 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 F378-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F378-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F378-0431
  • 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 F378-0431 available by request