Y500-0369 Screening compound: isopropyl 4-[4-(sec-butyl)phenyl]-2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate

Y500-0369 Screening compound: isopropyl 4-[4-(sec-butyl)phenyl]-2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate
Y500-0369 Screening compound: isopropyl 4-[4-(sec-butyl)phenyl]-2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-0369
isopropyl 4-[4-(sec-butyl)phenyl]-2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-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

Y500-0369

Molecular Formula

C30H31ClN2O4S (C30 H31 ClN2 O4 S)

Compound Name

isopropyl 4-[4-(sec-butyl)phenyl]-2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate

IUPAC name

propan-2-yl 4-[4-(butan-2-yl)phenyl]-2-[3-(2-chlorophenyl)-5-methyl-12-oxazole-4-amido]-5-methylthiophene-3-carboxylate

SMILES

CCC(C)c(cc1)ccc1-c1c(C)sc(NC(c2c(C)onc2-c(cccc2)c2Cl)=O)c1C(OC(C)C)=O

InChI

InChI=1S/C30H31ClN2O4S/c1-7-17(4)20-12-14-21(15-13-20)25-19(6)38-29(26(25)30(35)36-16(2)3)32-28(34)24-18(5)37-33-27(24)22-10-8-9-11-23(22)31/h8-17H,7H2,1-6H3,(H,32,34)/t17-/m0/s1

InChI Key

SBROWUCUNQAFDT-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.11

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.324

Distribution Coefficient, logD

7.060

Water Solubility, LogSw

-6.56

Polar Surface Area

65.245

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-6.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

Y500-0369 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y500-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-0369?
Check Price and Availability of Y500-0369, 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 Y500-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-0369
  • 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 Y500-0369 available by request