C201-0054 Screening compound: 7-fluoro-1-(3-fluorophenyl)-2-phenyl-1H,2H,3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione

C201-0054 Screening compound: 7-fluoro-1-(3-fluorophenyl)-2-phenyl-1H,2H,3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione
C201-0054 Screening compound: 7-fluoro-1-(3-fluorophenyl)-2-phenyl-1H,2H,3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0054
7-fluoro-1-(3-fluorophenyl)-2-phenyl-1H,2H,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

C201-0054

Molecular Formula

C23H16F2N2OS (C23 H16 F2 N2 OS)

Compound Name

7-fluoro-1-(3-fluorophenyl)-2-phenyl-1H,2H,3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione

IUPAC name

7-fluoro-1-(3-fluorophenyl)-2-phenyl-1H2H3H4H5H-chromeno[23-d]pyrimidine-4-thione

SMILES

Fc1cccc(N(C(c2ccccc2)N2)C(Oc(cc3)c(C4)cc3F)=C4C2=S)c1

InChI

InChI=1S/C23H16F2N2OS/c24-16-7-4-8-18(13-16)27-21(14-5-2-1-3-6-14)26-22(29)19-12-15-11-17(25)9-10-20(15)28-23(19)27/h1-11,13,21H,12H2,(H,26,29)/t21-/m0/s1

InChI Key

KHZIDDXMZGFOOX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14729190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

Hydrogen Bond Acceptors Count

3.00

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

5.820

Water Solubility, LogSw

-6.11

Polar Surface Area

20.696

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

C201-0054 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C201-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0054?
Check Price and Availability of C201-0054, 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 C201-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0054
  • 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 C201-0054 available by request