K310-0033 Screening compound: N~7~-(2-methoxyphenyl)-8-methyl-2-(4-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

K310-0033 Screening compound: N~7~-(2-methoxyphenyl)-8-methyl-2-(4-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
K310-0033 Screening compound: N~7~-(2-methoxyphenyl)-8-methyl-2-(4-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K310-0033
N~7~-(2-methoxyphenyl)-8-methyl-2-(4-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-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

K310-0033

Molecular Formula

C23H17N5O5S2 (C23 H17 N5 O5 S2)

Compound Name

N~7~-(2-methoxyphenyl)-8-methyl-2-(4-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

IUPAC name

N-(2-methoxyphenyl)-4-methyl-12-(4-nitrophenyl)-2-oxo-610-dithia-1813-triazatricyclo[7.4.0.0^{37}]trideca-3(7)4812-tetraene-5-carboxamide

SMILES

Cc1c(C(Nc(cccc2)c2OC)=O)sc(N=C2SCC(c(cc3)ccc3[N+]([O-])=O)=NN22)c1C2=O

InChI

InChI=1S/C23H17N5O5S2/c1-12-18-21(35-19(12)20(29)24-15-5-3-4-6-17(15)33-2)25-23-27(22(18)30)26-16(11-34-23)13-7-9-14(10-8-13)28(31)32/h3-10H,11H2,1-2H3,(H,24,29)

InChI Key

VFPMCYUUQDOMSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05899776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.219

Distribution Coefficient, logD

4.190

Water Solubility, LogSw

-4.54

Polar Surface Area

100.871

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K310-0033 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K310-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K310-0033?
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What is the minimum amount of K310-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K310-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K310-0033
  • 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 K310-0033 available by request