D487-0043 Screening compound: N-[5-methyl-4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide

D487-0043 Screening compound: N-[5-methyl-4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide
D487-0043 Screening compound: N-[5-methyl-4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0043
N-[5-methyl-4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide

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

D487-0043

Molecular Formula

C18H21N3O3S (C18 H21 N3 O3 S)

Compound Name

N-[5-methyl-4-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide

IUPAC name

N-[5-methyl-4-(4-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]pentanamide

SMILES

CCCCC(Nc1nc(-c(cc2)cc(N3C)c2OCC3=O)c(C)s1)=O

InChI

InChI=1S/C18H21N3O3S/c1-4-5-6-15(22)19-18-20-17(11(2)25-18)12-7-8-14-13(9-12)21(3)16(23)10-24-14/h7-9H,4-6,10H2,1-3H3,(H,19,20,22)

InChI Key

WGNJRTWCSRJHSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

3.016

Water Solubility, LogSw

-3.41

Polar Surface Area

57.800

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D487-0043 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with D487-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0043?
Check Price and Availability of D487-0043, 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 D487-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0043
  • 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 D487-0043 available by request