Y044-6900 Screening compound: 1-(2,4-dihydroxyphenyl)-2-(2-methyl-1,3-thiazol-5-yl)-1-ethanone

Y044-6900 Screening compound: 1-(2,4-dihydroxyphenyl)-2-(2-methyl-1,3-thiazol-5-yl)-1-ethanone
Y044-6900 Screening compound: 1-(2,4-dihydroxyphenyl)-2-(2-methyl-1,3-thiazol-5-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-6900
1-(2,4-dihydroxyphenyl)-2-(2-methyl-1,3-thiazol-5-yl)-1-ethanone

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

Y044-6900

Molecular Formula

C12H11NO3S (C12 H11 NO3 S)

Compound Name

1-(2,4-dihydroxyphenyl)-2-(2-methyl-1,3-thiazol-5-yl)-1-ethanone

IUPAC name

1-(24-dihydroxyphenyl)-2-(2-methyl-13-thiazol-5-yl)ethan-1-one

SMILES

Cc1ncc(CC(c(ccc(O)c2)c2O)=O)s1

InChI

InChI=1S/C12H11NO3S/c1-7-13-6-9(17-7)5-12(16)10-3-2-8(14)4-11(10)15/h2-4,6,14-15H,5H2,1H3

InChI Key

NMLDLIOJNMBCAQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.326

Distribution Coefficient, logD

2.177

Water Solubility, LogSw

-2.55

Polar Surface Area

57.713

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

Y044-6900 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y044-6900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-6900?
Check Price and Availability of Y044-6900, 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 Y044-6900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-6900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-6900
  • 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 Y044-6900 available by request