C683-0313 Screening compound: 2-{[9-methoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide

C683-0313 Screening compound: 2-{[9-methoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
C683-0313 Screening compound: 2-{[9-methoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0313
2-{[9-methoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide

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

C683-0313

Molecular Formula

C28H25N3O4S (C28 H25 N3 O4 S)

Compound Name

2-{[9-methoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide

IUPAC name

2-{[9-methoxy-2-(4-methoxyphenyl)-5H-chromeno[23-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide

SMILES

CN(C(CSc1nc(-c(cc2)ccc2OC)nc2c1Cc(cccc1OC)c1O2)=O)c1ccccc1

InChI

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

InChI Key

QRHIBRWIMDSIAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.919

Distribution Coefficient, logD

5.916

Water Solubility, LogSw

-5.66

Polar Surface Area

56.102

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C683-0313 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C683-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0313?
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What is the minimum amount of C683-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0313
  • 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 C683-0313 available by request