C683-0417 Screening compound: 4-(benzylsulfanyl)-9-ethoxy-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine

C683-0417 Screening compound: 4-(benzylsulfanyl)-9-ethoxy-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine
C683-0417 Screening compound: 4-(benzylsulfanyl)-9-ethoxy-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0417
4-(benzylsulfanyl)-9-ethoxy-2-(4-ethoxyphenyl)-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

C683-0417

Molecular Formula

C28H26N2O3S (C28 H26 N2 O3 S)

Compound Name

4-(benzylsulfanyl)-9-ethoxy-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine

IUPAC name

4-(benzylsulfanyl)-9-ethoxy-2-(4-ethoxyphenyl)-5H-chromeno[23-d]pyrimidine

SMILES

CCOc(cc1)ccc1-c1nc(Oc2c(C3)cccc2OCC)c3c(SCc2ccccc2)n1

InChI

InChI=1S/C28H26N2O3S/c1-3-31-22-15-13-20(14-16-22)26-29-27-23(28(30-26)34-18-19-9-6-5-7-10-19)17-21-11-8-12-24(32-4-2)25(21)33-27/h5-16H,3-4,17-18H2,1-2H3

InChI Key

NOWXUZDHIDYZDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.706

Distribution Coefficient, logD

7.703

Water Solubility, LogSw

-6.06

Polar Surface Area

40.149

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with C683-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0417?
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What is the minimum amount of C683-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0417
  • 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 C683-0417 available by request