C722-0043 Screening compound: ethyl 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

C722-0043 Screening compound: ethyl 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
C722-0043 Screening compound: ethyl 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C722-0043
ethyl 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3,5-dimethyl-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

C722-0043

Molecular Formula

C20H24FN3O3 (C20 H24 FN3 O3)

Compound Name

ethyl 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C(N(CC2)CCN2c(cccc2)c2F)=O)c(C)[nH]1)=O

InChI

InChI=1S/C20H24FN3O3/c1-4-27-20(26)18-13(2)17(14(3)22-18)19(25)24-11-9-23(10-12-24)16-8-6-5-7-15(16)21/h5-8,22H,4,9-12H2,1-3H3

InChI Key

GKHMHCNIVPKZRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04472479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-3.21

Polar Surface Area

51.581

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C722-0043 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C722-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C722-0043?
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What is the minimum amount of C722-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C722-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C722-0043
  • 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 C722-0043 available by request