3184-1195 Screening compound: ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-({4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3184-1195 Screening compound: ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-({4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3184-1195 Screening compound: ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-({4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-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 3184-1195
ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-({4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-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

3184-1195

Molecular Formula

C37H33FN2O7S (C37 H33 FN2 O7 S)

Compound Name

ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-({4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-5-(27-dimethoxynaphthalen-1-yl)-2-({4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(c1cc(OC)ccc1cc1)c1OC)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)cc(OC)c1OCc(cc1)ccc1F)=O

InChI

InChI=1S/C37H33FN2O7S/c1-6-46-36(42)32-21(2)39-37-40(34(32)33-27-19-26(43-3)14-10-24(27)11-16-29(33)44-4)35(41)31(48-37)18-23-9-15-28(30(17-23)45-5)47-20-22-7-12-25(38)13-8-22/h7-19,34H,6,20H2,1-5H3/t34-/m1/s1

InChI Key

MWEGQARZOKBFAV-UUWRZZSWSA-N

MDL Number (MFCD)

MFCD02086559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

668.74

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.875

Distribution Coefficient, logD

6.875

Water Solubility, LogSw

-6.16

Polar Surface Area

75.595

Acid Dissociation Constant (pKa)

26.17

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.60

3184-1195 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3184-1195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3184-1195?
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What is the minimum amount of 3184-1195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3184-1195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3184-1195
  • 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 3184-1195 available by request