8015-0732 Screening compound: 2-[5-(1H-indol-3-yl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]acetaldehyde

8015-0732 Screening compound: 2-[5-(1H-indol-3-yl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]acetaldehyde
8015-0732 Screening compound: 2-[5-(1H-indol-3-yl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]acetaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0732
2-[5-(1H-indol-3-yl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]acetaldehyde

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

8015-0732

Molecular Formula

C15H10N4O2S2 (C15 H10 N4 O2 S2)

Compound Name

2-[5-(1H-indol-3-yl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]acetaldehyde

IUPAC name

2-[5-(1H-indol-3-yl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-3-yl]acetaldehyde

SMILES

O=CCN(C(N=C(c1c[nH]c2c1cccc2)NC1=O)=C1S1)C1=S

InChI

InChI=1S/C15H10N4O2S2/c20-6-5-19-13-11(23-15(19)22)14(21)18-12(17-13)9-7-16-10-4-2-1-3-8(9)10/h1-4,6-7,16H,5H2,(H,17,18,21)

InChI Key

NYBPBGVGKCCSNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.802

Distribution Coefficient, logD

1.802

Water Solubility, LogSw

-2.62

Polar Surface Area

61.521

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8015-0732 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8015-0732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0732?
Check Price and Availability of 8015-0732, 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 8015-0732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0732
  • 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 8015-0732 available by request