3184-0755 Screening compound: ethyl (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3184-0755 Screening compound: ethyl (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3184-0755 Screening compound: ethyl (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3184-0755
ethyl (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-7-phenyl-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

3184-0755

Molecular Formula

C34H32N2O6S (C34 H32 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1C(C)C)c(C)cc1OC)N1C2=O)=C(c3ccccc3)N=C1S/C2=C\c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C34H32N2O6S/c1-6-40-33(38)29-30(22-10-8-7-9-11-22)35-34-36(31(29)24-17-23(19(2)3)26(39-5)14-20(24)4)32(37)28(43-34)16-21-12-13-25-27(15-21)42-18-41-25/h7-17,19,31H,6,18H2,1-5H3/t31-/m1/s1

InChI Key

KMVJNPUSXPLLFF-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD02086527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.585

Distribution Coefficient, logD

7.585

Water Solubility, LogSw

-5.64

Polar Surface Area

70.723

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.50

References: we are preparing a list of scientific research reports with 3184-0755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3184-0755?
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What is the minimum amount of 3184-0755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3184-0755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3184-0755
  • 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 3184-0755 available by request