4428-0321 Screening compound: methyl (2E)-7-methyl-5-(4-methylphenyl)-3-oxo-2-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4428-0321 Screening compound: methyl (2E)-7-methyl-5-(4-methylphenyl)-3-oxo-2-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4428-0321 Screening compound: methyl (2E)-7-methyl-5-(4-methylphenyl)-3-oxo-2-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4428-0321
methyl (2E)-7-methyl-5-(4-methylphenyl)-3-oxo-2-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

4428-0321

Molecular Formula

C26H24N2O4S (C26 H24 N2 O4 S)

Compound Name

methyl (2E)-7-methyl-5-(4-methylphenyl)-3-oxo-2-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl (2E)-7-methyl-5-(4-methylphenyl)-3-oxo-2-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

Cc1ccc(C2N(C(/C(/S3)=C\c(cc4)ccc4OCC=C)=O)C3=NC(C)=C2C(OC)=O)cc1

InChI

InChI=1S/C26H24N2O4S/c1-5-14-32-20-12-8-18(9-13-20)15-21-24(29)28-23(19-10-6-16(2)7-11-19)22(25(30)31-4)17(3)27-26(28)33-21/h5-13,15,23H,1,14H2,2-4H3/t23-/m1/s1

InChI Key

AKMWJCSJKFOPSP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03463396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.998

Distribution Coefficient, logD

4.998

Water Solubility, LogSw

-4.66

Polar Surface Area

53.585

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 4428-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4428-0321?
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What is the minimum amount of 4428-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4428-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4428-0321
  • 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 4428-0321 available by request