G844-0460 Screening compound: methyl 2-({5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}carbamoyl)benzoate

G844-0460 Screening compound: methyl 2-({5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}carbamoyl)benzoate
G844-0460 Screening compound: methyl 2-({5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}carbamoyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G844-0460
methyl 2-({5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}carbamoyl)benzoate

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

G844-0460

Molecular Formula

C14H14N4O3S (C14 H14 N4 O3 S)

Compound Name

methyl 2-({5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}carbamoyl)benzoate

IUPAC name

methyl 2-({5H6H7H-[124]triazolo[34-b][13]thiazin-3-yl}carbamoyl)benzoate

SMILES

COC(c(cccc1)c1C(Nc1nnc2SCCCn12)=O)=O

InChI

InChI=1S/C14H14N4O3S/c1-21-12(20)10-6-3-2-5-9(10)11(19)15-13-16-17-14-18(13)7-4-8-22-14/h2-3,5-6H,4,7-8H2,1H3,(H,15,16,19)

InChI Key

RXFDTAPJKWPKDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.322

Distribution Coefficient, logD

1.308

Water Solubility, LogSw

-2.35

Polar Surface Area

70.269

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G844-0460 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with G844-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G844-0460?
Check Price and Availability of G844-0460, 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 G844-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G844-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G844-0460
  • 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 G844-0460 available by request