C683-0797 Screening compound: 2-({9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-(4-methylphenyl)acetamide

C683-0797 Screening compound: 2-({9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-(4-methylphenyl)acetamide
C683-0797 Screening compound: 2-({9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0797
2-({9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-(4-methylphenyl)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

C683-0797

Molecular Formula

C27H23N3O2S (C27 H23 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(CSc1nc(-c2ccccc2)nc2c1Cc(cccc1C)c1O2)=O

InChI

InChI=1S/C27H23N3O2S/c1-17-11-13-21(14-12-17)28-23(31)16-33-27-22-15-20-10-6-7-18(2)24(20)32-26(22)29-25(30-27)19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3,(H,28,31)

InChI Key

RQAWAWZXSWTXAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

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

7.442

Distribution Coefficient, logD

7.439

Water Solubility, LogSw

-5.81

Polar Surface Area

48.964

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with C683-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0797?
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What is the minimum amount of C683-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0797
  • 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 C683-0797 available by request