F639-0066 Screening compound: methyl 4-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate

F639-0066 Screening compound: methyl 4-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate
F639-0066 Screening compound: methyl 4-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F639-0066
methyl 4-{[4-(2-methoxyphenyl)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

F639-0066

Molecular Formula

C19H25N3O5S (C19 H25 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(C)c(C(OC)=O)c1)c1S(N(CC1)CCN1c(cccc1)c1OC)(=O)=O

InChI

InChI=1S/C19H25N3O5S/c1-14-18(13-16(20(14)2)19(23)27-4)28(24,25)22-11-9-21(10-12-22)15-7-5-6-8-17(15)26-3/h5-8,13H,9-12H2,1-4H3

InChI Key

PPVWBCFVTXLPQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27181385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.825

Distribution Coefficient, logD

1.825

Water Solubility, LogSw

-2.43

Polar Surface Area

65.746

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

F639-0066 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 F639-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F639-0066?
Check Price and Availability of F639-0066, 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 F639-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F639-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F639-0066
  • 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 F639-0066 available by request