C683-0125 Screening compound: 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

C683-0125 Screening compound: 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
C683-0125 Screening compound: 2-({9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0125
2-({9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

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

C683-0125

Molecular Formula

C29H25N3O3S (C29 H25 N3 O3 S)

Compound Name

2-({9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-({9-methoxy-2-phenyl-5H-chromeno[23-d]pyrimidin-4-yl}sulfanyl)-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

COc1cccc(C2)c1Oc1c2c(SCC(N(CCC2)c3c2cccc3)=O)nc(-c2ccccc2)n1

InChI

InChI=1S/C29H25N3O3S/c1-34-24-15-7-12-21-17-22-28(35-26(21)24)30-27(20-10-3-2-4-11-20)31-29(22)36-18-25(33)32-16-8-13-19-9-5-6-14-23(19)32/h2-7,9-12,14-15H,8,13,16-18H2,1H3

InChI Key

IALFARWNBJDMSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.824

Distribution Coefficient, logD

6.821

Water Solubility, LogSw

-5.81

Polar Surface Area

48.502

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

C683-0125 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C683-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0125?
Check Price and Availability of C683-0125, 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 C683-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0125
  • 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 C683-0125 available by request