D487-0142 Screening compound: N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}acetamide

D487-0142 Screening compound: N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}acetamide
D487-0142 Screening compound: N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0142
N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}acetamide

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

D487-0142

Molecular Formula

C17H17N3O3S (C17 H17 N3 O3 S)

Compound Name

N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}acetamide

IUPAC name

N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-34-dihydro-2H-14-benzoxazin-6-yl]-13-thiazol-2-yl}acetamide

SMILES

CC(Nc1nc(-c(cc2)cc(N3CC=C)c2OCC3=O)c(C)s1)=O

InChI

InChI=1S/C17H17N3O3S/c1-4-7-20-13-8-12(5-6-14(13)23-9-15(20)22)16-10(2)24-17(19-16)18-11(3)21/h4-6,8H,1,7,9H2,2-3H3,(H,18,19,21)

InChI Key

QVNQQHGQMBUBIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.608

Distribution Coefficient, logD

2.608

Water Solubility, LogSw

-3.11

Polar Surface Area

58.125

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D487-0142 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 D487-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0142?
Check Price and Availability of D487-0142, 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 D487-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0142
  • 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 D487-0142 available by request