C683-0424 Screening compound: 4-(benzylsulfanyl)-7-chloro-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine

C683-0424 Screening compound: 4-(benzylsulfanyl)-7-chloro-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine
C683-0424 Screening compound: 4-(benzylsulfanyl)-7-chloro-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0424
4-(benzylsulfanyl)-7-chloro-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

C683-0424

Molecular Formula

C26H21ClN2O2S (C26 H21 ClN2 O2 S)

Compound Name

4-(benzylsulfanyl)-7-chloro-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine

IUPAC name

4-(benzylsulfanyl)-7-chloro-2-(4-ethoxyphenyl)-5H-chromeno[23-d]pyrimidine

SMILES

CCOc(cc1)ccc1-c1nc(Oc(cc2)c(C3)cc2Cl)c3c(SCc2ccccc2)n1

InChI

InChI=1S/C26H21ClN2O2S/c1-2-30-21-11-8-18(9-12-21)24-28-25-22(15-19-14-20(27)10-13-23(19)31-25)26(29-24)32-16-17-6-4-3-5-7-17/h3-14H,2,15-16H2,1H3

InChI Key

JSHQJDOSUSRVHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.903

Distribution Coefficient, logD

7.896

Water Solubility, LogSw

-6.48

Polar Surface Area

33.254

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with C683-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0424?
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What is the minimum amount of C683-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0424
  • 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 C683-0424 available by request