K310-0035 Screening compound: ethyl 2-(6-chloro-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

K310-0035 Screening compound: ethyl 2-(6-chloro-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
K310-0035 Screening compound: ethyl 2-(6-chloro-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 K310-0035
ethyl 2-(6-chloro-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

K310-0035

Molecular Formula

C21H14ClN3O5S2 (C21 H14 ClN3 O5 S2)

Compound Name

ethyl 2-(6-chloro-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

ethyl 12-(6-chloro-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

CCOC(c1c(C)c(C(N(C(SC2)=N3)N=C2C2=Cc(cc(cc4)Cl)c4OC2=O)=O)c3s1)=O

InChI

InChI=1S/C21H14ClN3O5S2/c1-3-29-20(28)16-9(2)15-17(32-16)23-21-25(18(15)26)24-13(8-31-21)12-7-10-6-11(22)4-5-14(10)30-19(12)27/h4-7H,3,8H2,1-2H3

InChI Key

YFURGCVDRQWVQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.94

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.979

Distribution Coefficient, logD

3.979

Water Solubility, LogSw

-4.72

Polar Surface Area

79.141

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

K310-0035 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K310-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K310-0035?
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What is the minimum amount of K310-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K310-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K310-0035
  • 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 K310-0035 available by request