K310-0012 Screening compound: methyl 2-(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate

K310-0012 Screening compound: methyl 2-(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
K310-0012 Screening compound: methyl 2-(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K310-0012
methyl 2-(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate

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

K310-0012

Molecular Formula

C26H25N3O6S2 (C26 H25 N3 O6 S2)

Compound Name

methyl 2-(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate

IUPAC name

methyl 12-(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)-4-methyl-2-oxo-610-dithia-1813-triazatricyclo[7.4.0.0^{37}]trideca-3(7)4812-tetraene-5-carboxylate

SMILES

CCCCCCc(c(O)c1)cc(C=C2C(CS3)=NN4C3=Nc(sc(C(OC)=O)c3C)c3C4=O)c1OC2=O

InChI

InChI=1S/C26H25N3O6S2/c1-4-5-6-7-8-14-9-15-10-16(24(32)35-19(15)11-18(14)30)17-12-36-26-27-22-20(23(31)29(26)28-17)13(2)21(37-22)25(33)34-3/h9-11,30H,4-8,12H2,1-3H3

InChI Key

ROBWUQCYLGPGGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.249

Distribution Coefficient, logD

5.235

Water Solubility, LogSw

-4.73

Polar Surface Area

96.109

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

K310-0012 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Hsp90-Targeted Library (11355 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K310-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K310-0012?
Check Price and Availability of K310-0012, 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 K310-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K310-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K310-0012
  • 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 K310-0012 available by request