C766-0237 Screening compound: 9-methyl-2-[4-(propan-2-yl)phenyl]-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione

C766-0237 Screening compound: 9-methyl-2-[4-(propan-2-yl)phenyl]-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione
C766-0237 Screening compound: 9-methyl-2-[4-(propan-2-yl)phenyl]-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C766-0237
9-methyl-2-[4-(propan-2-yl)phenyl]-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

C766-0237

Molecular Formula

C21H20N2OS (C21 H20 N2 OS)

Compound Name

9-methyl-2-[4-(propan-2-yl)phenyl]-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione

IUPAC name

9-methyl-2-[4-(propan-2-yl)phenyl]-3H4H5H-chromeno[23-d]pyrimidine-4-thione

SMILES

CC(C)c(cc1)ccc1C(N1)=NC(Oc2c(C3)cccc2C)=C3C1=S

InChI

InChI=1S/C21H20N2OS/c1-12(2)14-7-9-15(10-8-14)19-22-20-17(21(25)23-19)11-16-6-4-5-13(3)18(16)24-20/h4-10,12H,11H2,1-3H3,(H,22,23,25)

InChI Key

IXMWATDPTIWBSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.821

Distribution Coefficient, logD

5.821

Water Solubility, LogSw

-5.71

Polar Surface Area

29.319

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C766-0237 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C766-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C766-0237?
Check Price and Availability of C766-0237, 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 C766-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C766-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C766-0237
  • 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 C766-0237 available by request