2318-0569 Screening compound: propan-2-yl 4,4,4-trifluoro-2-[1-hydroxy-4-(4-methylbenzenesulfonamido)naphthalen-2-yl]-3-oxobutanoate

2318-0569 Screening compound: propan-2-yl 4,4,4-trifluoro-2-[1-hydroxy-4-(4-methylbenzenesulfonamido)naphthalen-2-yl]-3-oxobutanoate
2318-0569 Screening compound: propan-2-yl 4,4,4-trifluoro-2-[1-hydroxy-4-(4-methylbenzenesulfonamido)naphthalen-2-yl]-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2318-0569
propan-2-yl 4,4,4-trifluoro-2-[1-hydroxy-4-(4-methylbenzenesulfonamido)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

2318-0569

Molecular Formula

C24H22F3NO6S (C24 H22 F3 NO6 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(C(C(C(F)(F)F)=O)c(cc(c1ccccc11)NS(c2ccc(C)cc2)(=O)=O)c1O)=O

InChI

InChI=1S/C24H22F3NO6S/c1-13(2)34-23(31)20(22(30)24(25,26)27)18-12-19(16-6-4-5-7-17(16)21(18)29)28-35(32,33)15-10-8-14(3)9-11-15/h4-13,20,28-29H,1-3H3/t20-/m0/s1

InChI Key

YPOSVSICFZOGQX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01841002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.365

Distribution Coefficient, logD

5.184

Water Solubility, LogSw

-5.33

Polar Surface Area

89.569

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

-10.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

2318-0569 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2318-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2318-0569?
Check Price and Availability of 2318-0569, 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 2318-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2318-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2318-0569
  • 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 2318-0569 available by request