C683-0519 Screening compound: N-(3-ethoxyphenyl)-2-{[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide

C683-0519 Screening compound: N-(3-ethoxyphenyl)-2-{[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
C683-0519 Screening compound: N-(3-ethoxyphenyl)-2-{[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0519
N-(3-ethoxyphenyl)-2-{[2-(4-fluorophenyl)-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

C683-0519

Molecular Formula

C27H22FN3O3S (C27 H22 FN3 O3 S)

Compound Name

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

IUPAC name

N-(3-ethoxyphenyl)-2-{[2-(4-fluorophenyl)-5H-chromeno[23-d]pyrimidin-4-yl]sulfanyl}acetamide

SMILES

CCOc1cccc(NC(CSc2nc(-c(cc3)ccc3F)nc3c2Cc(cccc2)c2O3)=O)c1

InChI

InChI=1S/C27H22FN3O3S/c1-2-33-21-8-5-7-20(15-21)29-24(32)16-35-27-22-14-18-6-3-4-9-23(18)34-26(22)30-25(31-27)17-10-12-19(28)13-11-17/h3-13,15H,2,14,16H2,1H3,(H,29,32)

InChI Key

VAGYJVGHCGOPKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.154

Distribution Coefficient, logD

7.151

Water Solubility, LogSw

-5.74

Polar Surface Area

56.404

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with C683-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0519?
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What is the minimum amount of C683-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0519
  • 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 C683-0519 available by request