4456-2830 Screening compound: 4-[N-(benzenesulfonyl)butanamido]-2-chlorophenyl butanoate

4456-2830 Screening compound: 4-[N-(benzenesulfonyl)butanamido]-2-chlorophenyl butanoate
4456-2830 Screening compound: 4-[N-(benzenesulfonyl)butanamido]-2-chlorophenyl butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-2830
4-[N-(benzenesulfonyl)butanamido]-2-chlorophenyl butanoate

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

4456-2830

Molecular Formula

C20H22ClNO5S (C20 H22 ClNO5 S)

Compound Name

4-[N-(benzenesulfonyl)butanamido]-2-chlorophenyl butanoate

IUPAC name

4-[N-(benzenesulfonyl)butanamido]-2-chlorophenyl butanoate

SMILES

CCCC(N(c(cc1)cc(Cl)c1OC(CCC)=O)S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C20H22ClNO5S/c1-3-8-19(23)22(28(25,26)16-10-6-5-7-11-16)15-12-13-18(17(21)14-15)27-20(24)9-4-2/h5-7,10-14H,3-4,8-9H2,1-2H3

InChI Key

KIFWRKYTXZWNEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00567813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.484

Distribution Coefficient, logD

4.484

Water Solubility, LogSw

-4.73

Polar Surface Area

65.431

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

-14.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 4456-2830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-2830?
Check Price and Availability of 4456-2830, 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 4456-2830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-2830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-2830
  • 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 4456-2830 available by request