C683-0323 Screening compound: 2-{[9-ethoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide

C683-0323 Screening compound: 2-{[9-ethoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
C683-0323 Screening compound: 2-{[9-ethoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0323
2-{[9-ethoxy-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide

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

C683-0323

Molecular Formula

C26H29N3O4S (C26 H29 N3 O4 S)

Compound Name

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

IUPAC name

2-{[9-ethoxy-2-(4-methoxyphenyl)-5H-chromeno[23-d]pyrimidin-4-yl]sulfanyl}-NN-diethylacetamide

SMILES

CCN(CC)C(CSc1nc(-c(cc2)ccc2OC)nc2c1Cc(cccc1OCC)c1O2)=O

InChI

InChI=1S/C26H29N3O4S/c1-5-29(6-2)22(30)16-34-26-20-15-18-9-8-10-21(32-7-3)23(18)33-25(20)27-24(28-26)17-11-13-19(31-4)14-12-17/h8-14H,5-7,15-16H2,1-4H3

InChI Key

CRVDKZMORMRCEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.138

Distribution Coefficient, logD

6.135

Water Solubility, LogSw

-5.58

Polar Surface Area

56.245

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C683-0323 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 C683-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0323?
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What is the minimum amount of C683-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0323
  • 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 C683-0323 available by request