5591-3233 Screening compound: propan-2-yl 4,4,4-trifluoro-2-[1-hydroxy-4-(4-methoxybenzenesulfonamido)naphthalen-2-yl]-3-oxobutanoate

5591-3233 Screening compound: propan-2-yl 4,4,4-trifluoro-2-[1-hydroxy-4-(4-methoxybenzenesulfonamido)naphthalen-2-yl]-3-oxobutanoate
5591-3233 Screening compound: propan-2-yl 4,4,4-trifluoro-2-[1-hydroxy-4-(4-methoxybenzenesulfonamido)naphthalen-2-yl]-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3233
propan-2-yl 4,4,4-trifluoro-2-[1-hydroxy-4-(4-methoxybenzenesulfonamido)naphthalen-2-yl]-3-oxobutanoate

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

5591-3233

Molecular Formula

C24H22F3NO7S (C24 H22 F3 NO7 S)

Compound Name

propan-2-yl 4,4,4-trifluoro-2-[1-hydroxy-4-(4-methoxybenzenesulfonamido)naphthalen-2-yl]-3-oxobutanoate

IUPAC name

propan-2-yl 444-trifluoro-2-[1-hydroxy-4-(4-methoxybenzenesulfonamido)naphthalen-2-yl]-3-oxobutanoate

SMILES

CC(C)OC(C(C(C(F)(F)F)=O)c(cc(c1ccccc11)NS(c(cc2)ccc2OC)(=O)=O)c1O)=O

InChI

InChI=1S/C24H22F3NO7S/c1-13(2)35-23(31)20(22(30)24(25,26)27)18-12-19(16-6-4-5-7-17(16)21(18)29)28-36(32,33)15-10-8-14(34-3)9-11-15/h4-13,20,28-29H,1-3H3/t20-/m0/s1

InChI Key

UDAKBIGLIUGSIY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03472239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-4.59

Polar Surface Area

97.113

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

-11.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 5591-3233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3233?
Check Price and Availability of 5591-3233, 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 5591-3233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3233
  • 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 5591-3233 available by request