C201-0087 Screening compound: 9-methoxy-2-phenyl-4-(prop-2-yn-1-ylsulfanyl)-5H-chromeno[2,3-d]pyrimidine

C201-0087 Screening compound: 9-methoxy-2-phenyl-4-(prop-2-yn-1-ylsulfanyl)-5H-chromeno[2,3-d]pyrimidine
C201-0087 Screening compound: 9-methoxy-2-phenyl-4-(prop-2-yn-1-ylsulfanyl)-5H-chromeno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0087
9-methoxy-2-phenyl-4-(prop-2-yn-1-ylsulfanyl)-5H-chromeno[2,3-d]pyrimidine

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

C201-0087

Molecular Formula

C21H16N2O2S (C21 H16 N2 O2 S)

Compound Name

9-methoxy-2-phenyl-4-(prop-2-yn-1-ylsulfanyl)-5H-chromeno[2,3-d]pyrimidine

IUPAC name

9-methoxy-2-phenyl-4-(prop-2-yn-1-ylsulfanyl)-5H-chromeno[23-d]pyrimidine

SMILES

COc1cccc(C2)c1Oc1c2c(SCC#C)nc(-c2ccccc2)n1

InChI

InChI=1S/C21H16N2O2S/c1-3-12-26-21-16-13-15-10-7-11-17(24-2)18(15)25-20(16)22-19(23-21)14-8-5-4-6-9-14/h1,4-11H,12-13H2,2H3

InChI Key

IVJFJTCWXRUZRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.744

Distribution Coefficient, logD

5.741

Water Solubility, LogSw

-5.84

Polar Surface Area

33.717

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C201-0087 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

DGK Inhibitors Library (10558 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C201-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0087?
Check Price and Availability of C201-0087, 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 C201-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0087
  • 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 C201-0087 available by request