F065-0246 Screening compound: methyl 1-methyl-4-[(2-{[(2-methylphenyl)methyl]carbamoyl}pyrrolidin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate

F065-0246 Screening compound: methyl 1-methyl-4-[(2-{[(2-methylphenyl)methyl]carbamoyl}pyrrolidin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate
F065-0246 Screening compound: methyl 1-methyl-4-[(2-{[(2-methylphenyl)methyl]carbamoyl}pyrrolidin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-0246
methyl 1-methyl-4-[(2-{[(2-methylphenyl)methyl]carbamoyl}pyrrolidin-1-yl)sulfonyl]-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

F065-0246

Molecular Formula

C20H25N3O5S (C20 H25 N3 O5 S)

Compound Name

methyl 1-methyl-4-[(2-{[(2-methylphenyl)methyl]carbamoyl}pyrrolidin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate

IUPAC name

methyl 1-methyl-4-[(2-{[(2-methylphenyl)methyl]carbamoyl}pyrrolidin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate

SMILES

Cc1c(CNC(C(CCC2)N2S(c2cn(C)c(C(OC)=O)c2)(=O)=O)=O)cccc1

InChI

InChI=1S/C20H25N3O5S/c1-14-7-4-5-8-15(14)12-21-19(24)17-9-6-10-23(17)29(26,27)16-11-18(20(25)28-3)22(2)13-16/h4-5,7-8,11,13,17H,6,9-10,12H2,1-3H3,(H,21,24)/t17-/m0/s1

InChI Key

WCLJDYJKUMHUCT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27098216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.722

Distribution Coefficient, logD

1.722

Water Solubility, LogSw

-2.53

Polar Surface Area

80.683

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

F065-0246 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F065-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-0246?
Check Price and Availability of F065-0246, 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 F065-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-0246
  • 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 F065-0246 available by request