K784-1072 Screening compound: 3-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K784-1072 Screening compound: 3-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K784-1072 Screening compound: 3-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-1072
3-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-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

K784-1072

Molecular Formula

C14H16N2O3S (C14 H16 N2 O3 S)

Compound Name

3-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

3-oxo-N-[(oxolan-2-yl)methyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

O=C(c(cc1)cc(N2)c1SCC2=O)NCC1OCCC1

InChI

InChI=1S/C14H16N2O3S/c17-13-8-20-12-4-3-9(6-11(12)16-13)14(18)15-7-10-2-1-5-19-10/h3-4,6,10H,1-2,5,7-8H2,(H,15,18)(H,16,17)/t10-/m1/s1

InChI Key

TYRWHQZKTBAKEU-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD03019569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.700

Distribution Coefficient, logD

0.700

Water Solubility, LogSw

-2.06

Polar Surface Area

58.127

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

K784-1072 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Soluble Diversity Library (15920 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with K784-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-1072?
Check Price and Availability of K784-1072, 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 K784-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-1072
  • 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 K784-1072 available by request