Y504-9272 Screening compound: diethyl 5-({[3-(2-chlorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate

Y504-9272 Screening compound: diethyl 5-({[3-(2-chlorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
Y504-9272 Screening compound: diethyl 5-({[3-(2-chlorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-9272
diethyl 5-({[3-(2-chlorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate

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

Y504-9272

Molecular Formula

C21H21ClN2O6S (C21 H21 ClN2 O6 S)

Compound Name

diethyl 5-({[3-(2-chlorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate

IUPAC name

n/a

SMILES

CCOC(c1c(NC(C(C2)ON=C2c(cccc2)c2Cl)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C21H21ClN2O6S/c1-4-28-20(26)16-11(3)17(21(27)29-5-2)31-19(16)23-18(25)15-10-14(24-30-15)12-8-6-7-9-13(12)22/h6-9,15H,4-5,10H2,1-3H3,(H,23,25)/t15-/m1/s1

InChI Key

XMWODONNJKYHTC-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

1.616

Water Solubility, LogSw

-4.73

Polar Surface Area

87.225

Acid Dissociation Constant (pKa)

4.74

Base Dissociation Constant (pKb)

-5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with Y504-9272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-9272?
Check Price and Availability of Y504-9272, 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 Y504-9272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-9272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-9272
  • 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 Y504-9272 available by request