C683-0400 Screening compound: 2-{[2-(4-ethoxyphenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide

C683-0400 Screening compound: 2-{[2-(4-ethoxyphenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide
C683-0400 Screening compound: 2-{[2-(4-ethoxyphenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0400
2-{[2-(4-ethoxyphenyl)-7-methyl-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

C683-0400

Molecular Formula

C29H27N3O3S (C29 H27 N3 O3 S)

Compound Name

2-{[2-(4-ethoxyphenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide

IUPAC name

2-{[2-(4-ethoxyphenyl)-7-methyl-5H-chromeno[23-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide

SMILES

CCOc(cc1)ccc1-c1nc(Oc2c(C3)cc(C)cc2)c3c(SCC(Nc2ccc(C)cc2)=O)n1

InChI

InChI=1S/C29H27N3O3S/c1-4-34-23-12-8-20(9-13-23)27-31-28-24(16-21-15-19(3)7-14-25(21)35-28)29(32-27)36-17-26(33)30-22-10-5-18(2)6-11-22/h5-15H,4,16-17H2,1-3H3,(H,30,33)

InChI Key

WKCBUXTYWLLINJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.748

Distribution Coefficient, logD

7.745

Water Solubility, LogSw

-5.63

Polar Surface Area

56.404

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with C683-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0400?
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What is the minimum amount of C683-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0400
  • 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 C683-0400 available by request