4490-2397 Screening compound: ethyl (2E)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-5-(3,4,5-trimethoxyphenyl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4490-2397 Screening compound: ethyl (2E)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-5-(3,4,5-trimethoxyphenyl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4490-2397 Screening compound: ethyl (2E)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-5-(3,4,5-trimethoxyphenyl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-2397
ethyl (2E)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-5-(3,4,5-trimethoxyphenyl)-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

4490-2397

Molecular Formula

C31H35N5O8S (C31 H35 N5 O8 S)

Compound Name

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

IUPAC name

ethyl (2E)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-5-(345-trimethoxyphenyl)-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1OC)cc(OC)c1OC)N1C2=O)=C(C)N=C1S/C2=C/c(cc(cc1)[N+]([O-])=O)c1N1CCN(C)CC1)=O

InChI

InChI=1S/C31H35N5O8S/c1-7-44-30(38)26-18(2)32-31-35(27(26)20-15-23(41-4)28(43-6)24(16-20)42-5)29(37)25(45-31)17-19-14-21(36(39)40)8-9-22(19)34-12-10-33(3)11-13-34/h8-9,14-17,27H,7,10-13H2,1-6H3/t27-/m1/s1

InChI Key

GFDRTJRQOWLBSL-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD02608666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

637.71

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

4.186

Distribution Coefficient, logD

3.499

Water Solubility, LogSw

-4.37

Polar Surface Area

108.735

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.70

References: we are preparing a list of scientific research reports with 4490-2397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-2397?
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What is the minimum amount of 4490-2397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-2397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-2397
  • 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 4490-2397 available by request