C683-0386 Screening compound: 2-{[2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

C683-0386 Screening compound: 2-{[2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
C683-0386 Screening compound: 2-{[2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0386
2-{[2-(4-ethoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)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

C683-0386

Molecular Formula

C28H25N3O4S (C28 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1nc(Oc2c(C3)cccc2)c3c(SCC(Nc(cccc2)c2OC)=O)n1

InChI

InChI=1S/C28H25N3O4S/c1-3-34-20-14-12-18(13-15-20)26-30-27-21(16-19-8-4-6-10-23(19)35-27)28(31-26)36-17-25(32)29-22-9-5-7-11-24(22)33-2/h4-15H,3,16-17H2,1-2H3,(H,29,32)

InChI Key

PSHKNCAEGFJJTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06402879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.793

Distribution Coefficient, logD

6.790

Water Solubility, LogSw

-5.82

Polar Surface Area

63.336

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with C683-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0386?
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What is the minimum amount of C683-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0386
  • 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 C683-0386 available by request