C683-0245 Screening compound: 4-(ethylsulfanyl)-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine

C683-0245 Screening compound: 4-(ethylsulfanyl)-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine
C683-0245 Screening compound: 4-(ethylsulfanyl)-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0245
4-(ethylsulfanyl)-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine

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

C683-0245

Molecular Formula

C20H18N2O2S (C20 H18 N2 O2 S)

Compound Name

4-(ethylsulfanyl)-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidine

IUPAC name

4-(ethylsulfanyl)-2-(4-methoxyphenyl)-5H-chromeno[23-d]pyrimidine

SMILES

CCSc1nc(-c(cc2)ccc2OC)nc2c1Cc(cccc1)c1O2

InChI

InChI=1S/C20H18N2O2S/c1-3-25-20-16-12-14-6-4-5-7-17(14)24-19(16)21-18(22-20)13-8-10-15(23-2)11-9-13/h4-11H,3,12H2,1-2H3

InChI Key

ZBRISPBNLCAQMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.215

Distribution Coefficient, logD

6.212

Water Solubility, LogSw

-5.85

Polar Surface Area

33.946

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C683-0245 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C683-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0245?
Check Price and Availability of C683-0245, 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 C683-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0245
  • 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 C683-0245 available by request