K677-0008 Screening compound: 7-hydroxy-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2H-chromen-2-one

K677-0008 Screening compound: 7-hydroxy-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2H-chromen-2-one
K677-0008 Screening compound: 7-hydroxy-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K677-0008
7-hydroxy-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2H-chromen-2-one

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

K677-0008

Molecular Formula

C13H10N2O3S2 (C13 H10 N2 O3 S2)

Compound Name

7-hydroxy-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2H-chromen-2-one

IUPAC name

7-hydroxy-4-{[(5-methyl-134-thiadiazol-2-yl)sulfanyl]methyl}-2H-chromen-2-one

SMILES

Cc1nnc(SCC(c(ccc(O)c2)c2O2)=CC2=O)s1

InChI

InChI=1S/C13H10N2O3S2/c1-7-14-15-13(20-7)19-6-8-4-12(17)18-11-5-9(16)2-3-10(8)11/h2-5,16H,6H2,1H3

InChI Key

RKPGVVVSHIUTSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.910

Distribution Coefficient, logD

1.881

Water Solubility, LogSw

-2.72

Polar Surface Area

60.663

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K677-0008 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 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 K677-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K677-0008?
Check Price and Availability of K677-0008, 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 K677-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K677-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K677-0008
  • 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 K677-0008 available by request