Y508-9591 Screening compound: N~1~-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

Y508-9591 Screening compound: N~1~-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Y508-9591 Screening compound: N~1~-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2,2,3,3,4,4,4-heptafluorobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-9591
N~1~-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

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

Y508-9591

Molecular Formula

C15H12F7N3O4S (C15 H12 F7 N3 O4 S)

Compound Name

N~1~-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

IUPAC name

n/a

SMILES

Cc1c(NS(c(cc2)ccc2NC(C(C(C(F)(F)F)(F)F)(F)F)=O)(=O)=O)onc1C

InChI

InChI=1S/C15H12F7N3O4S/c1-7-8(2)24-29-11(7)25-30(27,28)10-5-3-9(4-6-10)23-12(26)13(16,17)14(18,19)15(20,21)22/h3-6,25H,1-2H3,(H,23,26)

InChI Key

LJUBPXHISILQNX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.630

Distribution Coefficient, logD

1.620

Water Solubility, LogSw

-4.01

Polar Surface Area

86.915

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with Y508-9591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-9591?
Check Price and Availability of Y508-9591, 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 Y508-9591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-9591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-9591
  • 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 Y508-9591 available by request