C683-0149 Screening compound: 2-({9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-methyl-N-phenylacetamide

C683-0149 Screening compound: 2-({9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-methyl-N-phenylacetamide
C683-0149 Screening compound: 2-({9-ethoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0149
2-({9-ethoxy-2-phenyl-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

C683-0149

Molecular Formula

C28H25N3O3S (C28 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cccc(C2)c1Oc1c2c(SCC(N(C)c2ccccc2)=O)nc(-c2ccccc2)n1

InChI

InChI=1S/C28H25N3O3S/c1-3-33-23-16-10-13-20-17-22-27(34-25(20)23)29-26(19-11-6-4-7-12-19)30-28(22)35-18-24(32)31(2)21-14-8-5-9-15-21/h4-16H,3,17-18H2,1-2H3

InChI Key

PRFTUEVIWBPWGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.349

Distribution Coefficient, logD

6.346

Water Solubility, LogSw

-5.76

Polar Surface Area

48.138

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C683-0149 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C683-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0149?
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What is the minimum amount of C683-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0149
  • 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 C683-0149 available by request