3184-1279 Screening compound: ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-({1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3184-1279 Screening compound: ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-({1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3184-1279 Screening compound: ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-({1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl}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 3184-1279
ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-({1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl}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

3184-1279

Molecular Formula

C39H34FN3O6S (C39 H34 FN3 O6 S)

Compound Name

ethyl (2Z)-5-(2,7-dimethoxynaphthalen-1-yl)-2-({1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl}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-({1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl}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\c1cn(CCOc(cccc2)c2F)c2c1cccc2)=O

InChI

InChI=1S/C39H34FN3O6S/c1-5-48-38(45)34-23(2)41-39-43(36(34)35-28-21-26(46-3)16-14-24(28)15-17-32(35)47-4)37(44)33(50-39)20-25-22-42(30-12-8-6-10-27(25)30)18-19-49-31-13-9-7-11-29(31)40/h6-17,20-22,36H,5,18-19H2,1-4H3/t36-/m1/s1

InChI Key

DCRNIVYHEUNOKD-PSXMRANNSA-N

MDL Number (MFCD)

MFCD02086567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

691.78

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.616

Distribution Coefficient, logD

7.616

Water Solubility, LogSw

-6.11

Polar Surface Area

69.865

Acid Dissociation Constant (pKa)

26.17

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.50

3184-1279 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 3184-1279 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3184-1279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3184-1279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3184-1279
  • 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 3184-1279 available by request