4490-2447 Screening compound: propan-2-yl (2E)-5-(4-methoxyphenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4490-2447 Screening compound: propan-2-yl (2E)-5-(4-methoxyphenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4490-2447 Screening compound: propan-2-yl (2E)-5-(4-methoxyphenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-2447
propan-2-yl (2E)-5-(4-methoxyphenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-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

4490-2447

Molecular Formula

C30H33N5O6S (C30 H33 N5 O6 S)

Compound Name

propan-2-yl (2E)-5-(4-methoxyphenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

propan-2-yl (2E)-5-(4-methoxyphenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(C)OC(C(C(c(cc1)ccc1OC)N1C2=O)=C(C)N=C1S/C2=C/c(cc(cc1)[N+]([O-])=O)c1N1CCN(C)CC1)=O

InChI

InChI=1S/C30H33N5O6S/c1-18(2)41-29(37)26-19(3)31-30-34(27(26)20-6-9-23(40-5)10-7-20)28(36)25(42-30)17-21-16-22(35(38)39)8-11-24(21)33-14-12-32(4)13-15-33/h6-11,16-18,27H,12-15H2,1-5H3/t27-/m1/s1

InChI Key

SHPTVZXXLHJBFU-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD02632190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.884

Distribution Coefficient, logD

4.197

Water Solubility, LogSw

-4.75

Polar Surface Area

92.980

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

4490-2447 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4490-2447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-2447?
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What is the minimum amount of 4490-2447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-2447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-2447
  • 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 4490-2447 available by request