2031-0103 Screening compound: ethyl (2Z)-5-(4-chlorophenyl)-2-({3-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2031-0103 Screening compound: ethyl (2Z)-5-(4-chlorophenyl)-2-({3-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2031-0103 Screening compound: ethyl (2Z)-5-(4-chlorophenyl)-2-({3-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}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 2031-0103
ethyl (2Z)-5-(4-chlorophenyl)-2-({3-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}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

2031-0103

Molecular Formula

C36H31ClN2O5S (C36 H31 ClN2 O5 S)

Compound Name

ethyl (2Z)-5-(4-chlorophenyl)-2-({3-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-5-(4-chlorophenyl)-2-({3-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1Cl)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)cc(OCC)c1OCc1cccc2ccccc12)=O

InChI

InChI=1S/C36H31ClN2O5S/c1-4-42-30-19-23(13-18-29(30)44-21-26-11-8-10-24-9-6-7-12-28(24)26)20-31-34(40)39-33(25-14-16-27(37)17-15-25)32(35(41)43-5-2)22(3)38-36(39)45-31/h6-20,33H,4-5,21H2,1-3H3/t33-/m0/s1

InChI Key

LAISZKLFGDANCJ-XIFFEERXSA-N

MDL Number (MFCD)

MFCD01592454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

639.17

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.381

Distribution Coefficient, logD

7.381

Water Solubility, LogSw

-6.66

Polar Surface Area

60.000

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with 2031-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2031-0103?
Check Price and Availability of 2031-0103, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2031-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2031-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2031-0103
  • 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 2031-0103 available by request