D487-0231 Screening compound: 3-(4-methylphenyl)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide

D487-0231 Screening compound: 3-(4-methylphenyl)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
D487-0231 Screening compound: 3-(4-methylphenyl)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0231
3-(4-methylphenyl)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide

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

D487-0231

Molecular Formula

C24H25N3O3S (C24 H25 N3 O3 S)

Compound Name

3-(4-methylphenyl)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide

IUPAC name

3-(4-methylphenyl)-N-[4-(3-oxo-4-propyl-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]propanamide

SMILES

CCCN1c(cc(cc2)-c3csc(NC(CCc4ccc(C)cc4)=O)n3)c2OCC1=O

InChI

InChI=1S/C24H25N3O3S/c1-3-12-27-20-13-18(9-10-21(20)30-14-23(27)29)19-15-31-24(25-19)26-22(28)11-8-17-6-4-16(2)5-7-17/h4-7,9-10,13,15H,3,8,11-12,14H2,1-2H3,(H,25,26,28)

InChI Key

JTHBQCMCYSCMRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.935

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-4.57

Polar Surface Area

56.971

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D487-0231 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D487-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0231?
Check Price and Availability of D487-0231, 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 D487-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0231
  • 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 D487-0231 available by request