C766-0119 Screening compound: 9-methoxy-2-(2,3,4-trimethoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione

C766-0119 Screening compound: 9-methoxy-2-(2,3,4-trimethoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione
C766-0119 Screening compound: 9-methoxy-2-(2,3,4-trimethoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C766-0119
9-methoxy-2-(2,3,4-trimethoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione

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

C766-0119

Molecular Formula

C21H20N2O5S (C21 H20 N2 O5 S)

Compound Name

9-methoxy-2-(2,3,4-trimethoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione

IUPAC name

9-methoxy-2-(234-trimethoxyphenyl)-3H4H5H-chromeno[23-d]pyrimidine-4-thione

SMILES

COc(ccc(C(N1)=NC(Oc2c(C3)cccc2OC)=C3C1=S)c1OC)c1OC

InChI

InChI=1S/C21H20N2O5S/c1-24-14-7-5-6-11-10-13-20(28-16(11)14)22-19(23-21(13)29)12-8-9-15(25-2)18(27-4)17(12)26-3/h5-9H,10H2,1-4H3,(H,22,23,29)

InChI Key

HOTWRBMSWNDJIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.527

Water Solubility, LogSw

-3.82

Polar Surface Area

60.014

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C766-0119 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C766-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C766-0119?
Check Price and Availability of C766-0119, 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 C766-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C766-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C766-0119
  • 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 C766-0119 available by request