F065-0027 Screening compound: methyl 4-[(2-{[benzyl(methyl)amino]carbonyl}-1-pyrrolidinyl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

F065-0027 Screening compound: methyl 4-[(2-{[benzyl(methyl)amino]carbonyl}-1-pyrrolidinyl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
F065-0027 Screening compound: methyl 4-[(2-{[benzyl(methyl)amino]carbonyl}-1-pyrrolidinyl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-0027
methyl 4-[(2-{[benzyl(methyl)amino]carbonyl}-1-pyrrolidinyl)sulfonyl]-1-methyl-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

F065-0027

Molecular Formula

C20H25N3O5S (C20 H25 N3 O5 S)

Compound Name

methyl 4-[(2-{[benzyl(methyl)amino]carbonyl}-1-pyrrolidinyl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

IUPAC name

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

SMILES

CN(Cc1ccccc1)C(C(CCC1)N1S(c1cn(C)c(C(OC)=O)c1)(=O)=O)=O

InChI

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

InChI Key

YCMZGZWRTNXZAB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27098141

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

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.428

Distribution Coefficient, logD

1.428

Water Solubility, LogSw

-2.34

Polar Surface Area

72.420

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

F065-0027 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F065-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-0027?
Check Price and Availability of F065-0027, 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 F065-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-0027
  • 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 F065-0027 available by request