6404-0231 Screening compound: methyl 4-[1-(4-fluorobenzenesulfonyl)pyrrolidine-2-amido]benzoate

6404-0231 Screening compound: methyl 4-[1-(4-fluorobenzenesulfonyl)pyrrolidine-2-amido]benzoate
6404-0231 Screening compound: methyl 4-[1-(4-fluorobenzenesulfonyl)pyrrolidine-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6404-0231
methyl 4-[1-(4-fluorobenzenesulfonyl)pyrrolidine-2-amido]benzoate

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

6404-0231

Molecular Formula

C19H19FN2O5S (C19 H19 FN2 O5 S)

Compound Name

methyl 4-[1-(4-fluorobenzenesulfonyl)pyrrolidine-2-amido]benzoate

IUPAC name

methyl 4-[1-(4-fluorobenzenesulfonyl)pyrrolidine-2-amido]benzoate

SMILES

COC(c(cc1)ccc1NC(C(CCC1)N1S(c(cc1)ccc1F)(=O)=O)=O)=O

InChI

InChI=1S/C19H19FN2O5S/c1-27-19(24)13-4-8-15(9-5-13)21-18(23)17-3-2-12-22(17)28(25,26)16-10-6-14(20)7-11-16/h4-11,17H,2-3,12H2,1H3,(H,21,23)/t17-/m0/s1

InChI Key

PBSYXDMQVRLJOT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03755768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.716

Distribution Coefficient, logD

2.714

Water Solubility, LogSw

-3.38

Polar Surface Area

77.051

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

6404-0231 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Dark Chemical Matter Library (18430 compounds)

Integrin Receptors Targeted library (1715 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Structure:
  • Pool
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6404-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6404-0231?
Check Price and Availability of 6404-0231, 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 6404-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6404-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6404-0231
  • 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 6404-0231 available by request