6193-0861 Screening compound: 8,10-dibromo-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

6193-0861 Screening compound: 8,10-dibromo-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
6193-0861 Screening compound: 8,10-dibromo-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 6193-0861
8,10-dibromo-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

6193-0861

Molecular Formula

C14H7Br2NO5S2 (C14 H7 Br2 NO5 S2)

Compound Name

8,10-dibromo-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

46-dibromo-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

OC(C(C(C1c2cc(Br)cc(Br)c2O2)C2=O)SC(N2)=C1SC2=O)=O

InChI

InChI=1S/C14H7Br2NO5S2/c15-3-1-4-6-7(13(20)22-8(4)5(16)2-3)10(12(18)19)23-11-9(6)24-14(21)17-11/h1-2,6-7,10H,(H,17,21)(H,18,19)

InChI Key

ZLCHJXJCPAEMJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04553398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.15

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

0.909

Water Solubility, LogSw

-3.78

Polar Surface Area

72.236

Acid Dissociation Constant (pKa)

4.98

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.40

6193-0861 in Drug Discovery

Included in Screening Libraries

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

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6193-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6193-0861?
Check Price and Availability of 6193-0861, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6193-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6193-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6193-0861
  • 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 6193-0861 available by request