C766-0125 Screening compound: 4-{9-methoxy-4-sulfanylidene-3H,4H,5H-chromeno[2,3-d]pyrimidin-2-yl}benzoic acid

C766-0125 Screening compound: 4-{9-methoxy-4-sulfanylidene-3H,4H,5H-chromeno[2,3-d]pyrimidin-2-yl}benzoic acid
C766-0125 Screening compound: 4-{9-methoxy-4-sulfanylidene-3H,4H,5H-chromeno[2,3-d]pyrimidin-2-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C766-0125
4-{9-methoxy-4-sulfanylidene-3H,4H,5H-chromeno[2,3-d]pyrimidin-2-yl}benzoic acid

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

C766-0125

Molecular Formula

C19H14N2O4S (C19 H14 N2 O4 S)

Compound Name

4-{9-methoxy-4-sulfanylidene-3H,4H,5H-chromeno[2,3-d]pyrimidin-2-yl}benzoic acid

IUPAC name

4-{9-methoxy-4-sulfanylidene-3H4H5H-chromeno[23-d]pyrimidin-2-yl}benzoic acid

SMILES

COc1cccc(C2)c1OC(N=C(c(cc1)ccc1C(O)=O)N1)=C2C1=S

InChI

InChI=1S/C19H14N2O4S/c1-24-14-4-2-3-12-9-13-17(25-15(12)14)20-16(21-18(13)26)10-5-7-11(8-6-10)19(22)23/h2-8H,9H2,1H3,(H,22,23)(H,20,21,26)

InChI Key

XWZGXZAHYHFULN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-4.14

Polar Surface Area

65.358

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C766-0125 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C766-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C766-0125?
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What is the minimum amount of C766-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C766-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C766-0125
  • 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 C766-0125 available by request