4489-5520 Screening compound: propan-2-yl (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4489-5520 Screening compound: propan-2-yl (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4489-5520 Screening compound: propan-2-yl (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-5520
propan-2-yl (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-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

4489-5520

Molecular Formula

C25H21ClN2O5S (C25 H21 ClN2 O5 S)

Compound Name

propan-2-yl (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

propan-2-yl (2Z)-2-[(2H-13-benzodioxol-5-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(C)OC(C(C(c(cc1)ccc1Cl)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C25H21ClN2O5S/c1-13(2)33-24(30)21-14(3)27-25-28(22(21)16-5-7-17(26)8-6-16)23(29)20(34-25)11-15-4-9-18-19(10-15)32-12-31-18/h4-11,13,22H,12H2,1-3H3/t22-/m0/s1

InChI Key

QMDDZWVHXOJABG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02954358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.419

Distribution Coefficient, logD

5.419

Water Solubility, LogSw

-6.14

Polar Surface Area

62.542

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

4489-5520 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4489-5520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-5520?
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What is the minimum amount of 4489-5520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-5520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-5520
  • 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 4489-5520 available by request