C201-0059 Screening compound: 7-fluoro-1-(3-fluorophenyl)-2-(thiophen-3-yl)-1H,2H,3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione

C201-0059 Screening compound: 7-fluoro-1-(3-fluorophenyl)-2-(thiophen-3-yl)-1H,2H,3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione
C201-0059 Screening compound: 7-fluoro-1-(3-fluorophenyl)-2-(thiophen-3-yl)-1H,2H,3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0059
7-fluoro-1-(3-fluorophenyl)-2-(thiophen-3-yl)-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

C201-0059

Molecular Formula

C21H14F2N2OS2 (C21 H14 F2 N2 OS2)

Compound Name

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

IUPAC name

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

SMILES

Fc1cccc(N(C(c2cscc2)N2)C(Oc(cc3)c(C4)cc3F)=C4C2=S)c1

InChI

InChI=1S/C21H14F2N2OS2/c22-14-2-1-3-16(10-14)25-19(12-6-7-28-11-12)24-20(27)17-9-13-8-15(23)4-5-18(13)26-21(17)25/h1-8,10-11,19H,9H2,(H,24,27)/t19-/m0/s1

InChI Key

ZLGNTVPINFJMMD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14729195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.48

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

5.498

Distribution Coefficient, logD

5.498

Water Solubility, LogSw

-6.00

Polar Surface Area

21.714

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

C201-0059 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C201-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0059?
Check Price and Availability of C201-0059, 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 C201-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0059
  • 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 C201-0059 available by request