F378-0475 Screening compound: ethyl 4-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

F378-0475 Screening compound: ethyl 4-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
F378-0475 Screening compound: ethyl 4-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F378-0475
ethyl 4-{[4-(2,3-dimethylphenyl)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

F378-0475

Molecular Formula

C22H31N3O4S (C22 H31 N3 O4 S)

Compound Name

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

IUPAC name

ethyl 4-{[4-(23-dimethylphenyl)piperazin-1-yl]sulfonyl}-135-trimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(S(N(CC2)CCN2c2c(C)c(C)ccc2)(=O)=O)c(C)n1C)=O

InChI

InChI=1S/C22H31N3O4S/c1-7-29-22(26)20-17(4)21(18(5)23(20)6)30(27,28)25-13-11-24(12-14-25)19-10-8-9-15(2)16(19)3/h8-10H,7,11-14H2,1-6H3

InChI Key

ZETXRBQBHLRIIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27644227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.57

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

3.590

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-3.73

Polar Surface Area

57.471

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F378-0475 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 F378-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F378-0475?
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What is the minimum amount of F378-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F378-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F378-0475
  • 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 F378-0475 available by request