Y501-1517 Screening compound: propyl 4-(4-butylphenyl)-5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate

Y501-1517 Screening compound: propyl 4-(4-butylphenyl)-5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
Y501-1517 Screening compound: propyl 4-(4-butylphenyl)-5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-1517
propyl 4-(4-butylphenyl)-5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate

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

Y501-1517

Molecular Formula

C30H32N2O4S (C30 H32 N2 O4 S)

Compound Name

propyl 4-(4-butylphenyl)-5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate

IUPAC name

propyl 4-(4-butylphenyl)-5-methyl-2-(5-methyl-3-phenyl-12-oxazole-4-amido)thiophene-3-carboxylate

SMILES

CCCCc(cc1)ccc1-c1c(C)sc(NC(c2c(C)onc2-c2ccccc2)=O)c1C(OCCC)=O

InChI

InChI=1S/C30H32N2O4S/c1-5-7-11-21-14-16-22(17-15-21)25-20(4)37-29(26(25)30(34)35-18-6-2)31-28(33)24-19(3)36-32-27(24)23-12-9-8-10-13-23/h8-10,12-17H,5-7,11,18H2,1-4H3,(H,31,33)

InChI Key

DFYZLZBBOSFNFP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.820

Distribution Coefficient, logD

7.343

Water Solubility, LogSw

-5.87

Polar Surface Area

65.860

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with Y501-1517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-1517?
Check Price and Availability of Y501-1517, 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 Y501-1517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-1517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-1517
  • 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 Y501-1517 available by request