C683-0408 Screening compound: 4-(benzylsulfanyl)-2-(4-ethoxyphenyl)-9-methoxy-5H-chromeno[2,3-d]pyrimidine

C683-0408 Screening compound: 4-(benzylsulfanyl)-2-(4-ethoxyphenyl)-9-methoxy-5H-chromeno[2,3-d]pyrimidine
C683-0408 Screening compound: 4-(benzylsulfanyl)-2-(4-ethoxyphenyl)-9-methoxy-5H-chromeno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0408
4-(benzylsulfanyl)-2-(4-ethoxyphenyl)-9-methoxy-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

C683-0408

Molecular Formula

C27H24N2O3S (C27 H24 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1nc(Oc2c(C3)cccc2OC)c3c(SCc2ccccc2)n1

InChI

InChI=1S/C27H24N2O3S/c1-3-31-21-14-12-19(13-15-21)25-28-26-22(16-20-10-7-11-23(30-2)24(20)32-26)27(29-25)33-17-18-8-5-4-6-9-18/h4-15H,3,16-17H2,1-2H3

InChI Key

QZSUMYQTYASNNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.189

Distribution Coefficient, logD

7.185

Water Solubility, LogSw

-6.06

Polar Surface Area

40.569

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with C683-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0408?
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What is the minimum amount of C683-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0408
  • 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 C683-0408 available by request