C683-0796 Screening compound: 2-({9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-phenylacetamide

C683-0796 Screening compound: 2-({9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-phenylacetamide
C683-0796 Screening compound: 2-({9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0796
2-({9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-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

C683-0796

Molecular Formula

C26H21N3O2S (C26 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C2)c1Oc1c2c(SCC(Nc2ccccc2)=O)nc(-c2ccccc2)n1

InChI

InChI=1S/C26H21N3O2S/c1-17-9-8-12-19-15-21-25(31-23(17)19)28-24(18-10-4-2-5-11-18)29-26(21)32-16-22(30)27-20-13-6-3-7-14-20/h2-14H,15-16H2,1H3,(H,27,30)

InChI Key

PHTBXIBDCPLBFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.827

Distribution Coefficient, logD

6.824

Water Solubility, LogSw

-5.84

Polar Surface Area

48.964

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with C683-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0796?
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What is the minimum amount of C683-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0796
  • 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 C683-0796 available by request