C683-0427 Screening compound: 2-{[7-chloro-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide

C683-0427 Screening compound: 2-{[7-chloro-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
C683-0427 Screening compound: 2-{[7-chloro-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0427
2-{[7-chloro-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide

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

C683-0427

Molecular Formula

C21H18ClN3O3S (C21 H18 ClN3 O3 S)

Compound Name

2-{[7-chloro-2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide

IUPAC name

2-{[7-chloro-2-(4-ethoxyphenyl)-5H-chromeno[23-d]pyrimidin-4-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)ccc1-c1nc(Oc(cc2)c(C3)cc2Cl)c3c(SCC(N)=O)n1

InChI

InChI=1S/C21H18ClN3O3S/c1-2-27-15-6-3-12(4-7-15)19-24-20-16(21(25-19)29-11-18(23)26)10-13-9-14(22)5-8-17(13)28-20/h3-9H,2,10-11H2,1H3,(H2,23,26)

InChI Key

SMOFYRLJQSUVER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.418

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-5.89

Polar Surface Area

66.914

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C683-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0427?
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What is the minimum amount of C683-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0427
  • 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 C683-0427 available by request