6427-0514 Screening compound: 10-nitro-2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid

6427-0514 Screening compound: 10-nitro-2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
6427-0514 Screening compound: 10-nitro-2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6427-0514
10-nitro-2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid

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

6427-0514

Molecular Formula

C14H8N2O7S2 (C14 H8 N2 O7 S2)

Compound Name

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

IUPAC name

4-nitro-915-dioxo-8-oxa-1216-dithia-14-azatetracyclo[8.7.0.0^{27}.0^{1317}]heptadeca-2(7)3513(17)-tetraene-11-carboxylic acid

SMILES

[O-][N+](c(cc1)cc(C(C23)C(SC(N4)=O)=C4SC3C(O)=O)c1OC2=O)=O

InChI

InChI=1S/C14H8N2O7S2/c17-12(18)10-8-7(9-11(24-10)15-14(20)25-9)5-3-4(16(21)22)1-2-6(5)23-13(8)19/h1-3,7-8,10H,(H,15,20)(H,17,18)

InChI Key

XIPVJQCDBDFGPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02980711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.36

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.513

Distribution Coefficient, logD

-0.908

Water Solubility, LogSw

-2.46

Polar Surface Area

105.933

Acid Dissociation Constant (pKa)

4.98

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.40

6427-0514 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 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 6427-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6427-0514?
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What is the minimum amount of 6427-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6427-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6427-0514
  • 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 6427-0514 available by request