C766-0561 Screening compound: 7-fluoro-2-(2-methoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione

C766-0561 Screening compound: 7-fluoro-2-(2-methoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione
C766-0561 Screening compound: 7-fluoro-2-(2-methoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C766-0561
7-fluoro-2-(2-methoxyphenyl)-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

C766-0561

Molecular Formula

C18H13FN2O2S (C18 H13 FN2 O2 S)

Compound Name

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

IUPAC name

7-fluoro-2-(2-methoxyphenyl)-3H4H5H-chromeno[23-d]pyrimidine-4-thione

SMILES

COc(cccc1)c1C(N1)=NC(Oc(cc2)c(C3)cc2F)=C3C1=S

InChI

InChI=1S/C18H13FN2O2S/c1-22-15-5-3-2-4-12(15)16-20-17-13(18(24)21-16)9-10-8-11(19)6-7-14(10)23-17/h2-8H,9H2,1H3,(H,20,21,24)

InChI Key

ACNZJORNABJAHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.761

Distribution Coefficient, logD

3.761

Water Solubility, LogSw

-4.14

Polar Surface Area

37.265

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C766-0561 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C766-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C766-0561?
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What is the minimum amount of C766-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C766-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C766-0561
  • 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 C766-0561 available by request