D437-0004 Screening compound: 2-methyl-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide

D437-0004 Screening compound: 2-methyl-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
D437-0004 Screening compound: 2-methyl-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0004
2-methyl-N-[4-(3-oxo-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

D437-0004

Molecular Formula

C15H15N3O3S (C15 H15 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(Nc1nc(-c(cc2)cc(N3)c2OCC3=O)cs1)=O

InChI

InChI=1S/C15H15N3O3S/c1-8(2)14(20)18-15-17-11(7-22-15)9-3-4-12-10(5-9)16-13(19)6-21-12/h3-5,7-8H,6H2,1-2H3,(H,16,19)(H,17,18,20)

InChI Key

JLDKWXUGQFDHNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.37

Polar Surface Area

66.646

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D437-0004 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D437-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0004?
Check Price and Availability of D437-0004, 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 D437-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0004
  • 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 D437-0004 available by request