K310-0069 Screening compound: N~7~-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

K310-0069 Screening compound: N~7~-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
K310-0069 Screening compound: N~7~-(2,3-dihydro-1,4-benzodioxin-6-yl)-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 K310-0069
N~7~-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

K310-0069

Molecular Formula

C24H17N5O6S2 (C24 H17 N5 O6 S2)

Compound Name

N~7~-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(23-dihydro-14-benzodioxin-6-yl)-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(cc2)cc3c2OCCO3)=O)sc(N=C2SCC(c(cc3)ccc3[N+]([O-])=O)=NN22)c1C2=O

InChI

InChI=1S/C24H17N5O6S2/c1-12-19-22(37-20(12)21(30)25-14-4-7-17-18(10-14)35-9-8-34-17)26-24-28(23(19)31)27-16(11-36-24)13-2-5-15(6-3-13)29(32)33/h2-7,10H,8-9,11H2,1H3,(H,25,30)

InChI Key

ACEYFKFKSACYCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.241

Distribution Coefficient, logD

3.218

Water Solubility, LogSw

-3.70

Polar Surface Area

109.762

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K310-0069 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 K310-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K310-0069?
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What is the minimum amount of K310-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K310-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K310-0069
  • 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 K310-0069 available by request