8006-8067 Screening compound: ethyl 5-[4-(dimethylamino)phenyl]-7-methyl-2-{(E)-1-[5-(4-nitrophenyl)-2-furyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

8006-8067 Screening compound: ethyl 5-[4-(dimethylamino)phenyl]-7-methyl-2-{(E)-1-[5-(4-nitrophenyl)-2-furyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
8006-8067 Screening compound: ethyl 5-[4-(dimethylamino)phenyl]-7-methyl-2-{(E)-1-[5-(4-nitrophenyl)-2-furyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8067
ethyl 5-[4-(dimethylamino)phenyl]-7-methyl-2-{(E)-1-[5-(4-nitrophenyl)-2-furyl]methylidene}-3-oxo-2,3-dihydro-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

8006-8067

Molecular Formula

C29H26N4O6S (C29 H26 N4 O6 S)

Compound Name

ethyl 5-[4-(dimethylamino)phenyl]-7-methyl-2-{(E)-1-[5-(4-nitrophenyl)-2-furyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2E)-5-[4-(dimethylamino)phenyl]-7-methyl-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1N(C)C)N1C2=O)=C(C)N=C1S/C2=C/c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1)=O

InChI

InChI=1S/C29H26N4O6S/c1-5-38-28(35)25-17(2)30-29-32(26(25)19-8-10-20(11-9-19)31(3)4)27(34)24(40-29)16-22-14-15-23(39-22)18-6-12-21(13-7-18)33(36)37/h6-16,26H,5H2,1-4H3/t26-/m1/s1

InChI Key

WRBBMWLXAJSUSW-AREMUKBSSA-N

MDL Number (MFCD)

MFCD00826695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.811

Distribution Coefficient, logD

5.797

Water Solubility, LogSw

-5.52

Polar Surface Area

89.503

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.69

References: we are preparing a list of scientific research reports with 8006-8067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8067?
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What is the minimum amount of 8006-8067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8067
  • 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 8006-8067 available by request