4413-0030 Screening compound: methyl 4-[2-(N-benzyl4-fluorobenzenesulfonamido)acetamido]benzoate

4413-0030 Screening compound: methyl 4-[2-(N-benzyl4-fluorobenzenesulfonamido)acetamido]benzoate
4413-0030 Screening compound: methyl 4-[2-(N-benzyl4-fluorobenzenesulfonamido)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4413-0030
methyl 4-[2-(N-benzyl4-fluorobenzenesulfonamido)acetamido]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

4413-0030

Molecular Formula

C23H21FN2O5S (C23 H21 FN2 O5 S)

Compound Name

methyl 4-[2-(N-benzyl4-fluorobenzenesulfonamido)acetamido]benzoate

IUPAC name

methyl 4-[2-(N-benzyl4-fluorobenzenesulfonamido)acetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CN(Cc1ccccc1)S(c(cc1)ccc1F)(=O)=O)=O)=O

InChI

InChI=1S/C23H21FN2O5S/c1-31-23(28)18-7-11-20(12-8-18)25-22(27)16-26(15-17-5-3-2-4-6-17)32(29,30)21-13-9-19(24)10-14-21/h2-14H,15-16H2,1H3,(H,25,27)

InChI Key

PFHBMHSYHQWGDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03139210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

4.302

Water Solubility, LogSw

-4.33

Polar Surface Area

75.665

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4413-0030 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4413-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4413-0030?
Check Price and Availability of 4413-0030, 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 4413-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4413-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4413-0030
  • 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 4413-0030 available by request