6427-0392 Screening compound: 10-nitro-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione

6427-0392 Screening compound: 10-nitro-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione
6427-0392 Screening compound: 10-nitro-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6427-0392
10-nitro-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione

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

6427-0392

Molecular Formula

C19H12N2O5S2 (C19 H12 N2 O5 S2)

Compound Name

10-nitro-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione

IUPAC name

4-nitro-11-phenyl-8-oxa-1216-dithia-14-azatetracyclo[8.7.0.0^{27}.0^{1317}]heptadeca-24613(17)-tetraene-915-dione

SMILES

[O-][N+](c(cc1)cc(C(C23)C(SC(N4)=O)=C4SC3c3ccccc3)c1OC2=O)=O

InChI

InChI=1S/C19H12N2O5S2/c22-18-14-13(11-8-10(21(24)25)6-7-12(11)26-18)16-17(20-19(23)28-16)27-15(14)9-4-2-1-3-5-9/h1-8,13-15H,(H,20,23)

InChI Key

KVUHSMIOTHUGRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03130759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.128

Distribution Coefficient, logD

4.128

Water Solubility, LogSw

-4.63

Polar Surface Area

77.253

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

15.80

6427-0392 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6427-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6427-0392?
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What is the minimum amount of 6427-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6427-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6427-0392
  • 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 6427-0392 available by request