D519-0457 Screening compound: N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,3-thiadiazole-4-carboxamide

D519-0457 Screening compound: N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,3-thiadiazole-4-carboxamide
D519-0457 Screening compound: N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,3-thiadiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D519-0457
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,3-thiadiazole-4-carboxamide

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

D519-0457

Molecular Formula

C15H16N4O3S (C15 H16 N4 O3 S)

Compound Name

N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,3-thiadiazole-4-carboxamide

IUPAC name

N-(4-butyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-123-thiadiazole-4-carboxamide

SMILES

CCCCN1c(cc(cc2)NC(c3csnn3)=O)c2OCC1=O

InChI

InChI=1S/C15H16N4O3S/c1-2-3-6-19-12-7-10(4-5-13(12)22-8-14(19)20)16-15(21)11-9-23-18-17-11/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,21)

InChI Key

AFGDCZSZBCLZMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.051

Distribution Coefficient, logD

2.048

Water Solubility, LogSw

-2.97

Polar Surface Area

69.015

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D519-0457 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D519-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D519-0457?
Check Price and Availability of D519-0457, 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 D519-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D519-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D519-0457
  • 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 D519-0457 available by request