8005-8775 Screening compound: 1-[4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one

8005-8775 Screening compound: 1-[4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
8005-8775 Screening compound: 1-[4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-8775
1-[4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-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

8005-8775

Molecular Formula

C14H16N2O3S (C14 H16 N2 O3 S)

Compound Name

1-[4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one

IUPAC name

1-[4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidin-5-yl]ethan-1-one

SMILES

CC(C(C(c(cc1)cc(OC)c1O)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C14H16N2O3S/c1-7-12(8(2)17)13(16-14(20)15-7)9-4-5-10(18)11(6-9)19-3/h4-6,13,18H,1-3H3,(H2,15,16,20)/t13-/m1/s1

InChI Key

SRYLQLKNELDGEC-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00228655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.039

Distribution Coefficient, logD

1.036

Water Solubility, LogSw

-2.03

Polar Surface Area

60.679

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-6.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8005-8775 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8005-8775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-8775?
Check Price and Availability of 8005-8775, 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 8005-8775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-8775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-8775
  • 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 8005-8775 available by request