G793-0033 Screening compound: ethyl 4-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G793-0033 Screening compound: ethyl 4-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G793-0033 Screening compound: ethyl 4-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0033
ethyl 4-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-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

G793-0033

Molecular Formula

C22H28FN3O3 (C22 H28 FN3 O3)

Compound Name

ethyl 4-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CCC(N(CC2)CCN2c(cc2)ccc2F)=O)c(C)[nH]1)=O

InChI

InChI=1S/C22H28FN3O3/c1-4-29-22(28)21-15(2)19(16(3)24-21)9-10-20(27)26-13-11-25(12-14-26)18-7-5-17(23)6-8-18/h5-8,24H,4,9-14H2,1-3H3

InChI Key

WLMKOLBLVFMYAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27158879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.343

Distribution Coefficient, logD

3.343

Water Solubility, LogSw

-3.37

Polar Surface Area

51.355

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with G793-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0033?
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What is the minimum amount of G793-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0033
  • 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 G793-0033 available by request