C201-0061 Screening compound: 7-chloro-1-(3-fluoro-4-methylphenyl)-2-(thiophen-2-yl)-1H,2H,3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione

C201-0061 Screening compound: 7-chloro-1-(3-fluoro-4-methylphenyl)-2-(thiophen-2-yl)-1H,2H,3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione
C201-0061 Screening compound: 7-chloro-1-(3-fluoro-4-methylphenyl)-2-(thiophen-2-yl)-1H,2H,3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0061
7-chloro-1-(3-fluoro-4-methylphenyl)-2-(thiophen-2-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

C201-0061

Molecular Formula

C22H16ClFN2OS2 (C22 H16 ClFN2 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(N(C(c1cccs1)N1)C(Oc(cc2)c(C3)cc2Cl)=C3C1=S)c1)c1F

InChI

InChI=1S/C22H16ClFN2OS2/c1-12-4-6-15(11-17(12)24)26-20(19-3-2-8-29-19)25-21(28)16-10-13-9-14(23)5-7-18(13)27-22(16)26/h2-9,11,20H,10H2,1H3,(H,25,28)/t20-/m1/s1

InChI Key

JMLKJGVDVTWQRF-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14729197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.97

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

6.451

Distribution Coefficient, logD

6.451

Water Solubility, LogSw

-6.40

Polar Surface Area

21.714

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C201-0061 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C201-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0061?
Check Price and Availability of C201-0061, 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 C201-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0061
  • 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 C201-0061 available by request