F639-0118 Screening compound: methyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate

F639-0118 Screening compound: methyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate
F639-0118 Screening compound: methyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F639-0118
methyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1,5-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

F639-0118

Molecular Formula

C20H25N3O5S (C20 H25 N3 O5 S)

Compound Name

methyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-15-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CC(c(cc1)ccc1N(CC1)CCN1S(c1c(C)n(C)c(C(OC)=O)c1)(=O)=O)=O

InChI

InChI=1S/C20H25N3O5S/c1-14-19(13-18(21(14)3)20(25)28-4)29(26,27)23-11-9-22(10-12-23)17-7-5-16(6-8-17)15(2)24/h5-8,13H,9-12H2,1-4H3

InChI Key

NYIBBEKJJUTXGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27181418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.488

Distribution Coefficient, logD

1.488

Water Solubility, LogSw

-2.42

Polar Surface Area

72.243

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with F639-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F639-0118?
Check Price and Availability of F639-0118, 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 F639-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F639-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F639-0118
  • 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 F639-0118 available by request