8009-8535 Screening compound: ethyl (2E)-2-({4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-5-(4-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

8009-8535 Screening compound: ethyl (2E)-2-({4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-5-(4-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
8009-8535 Screening compound: ethyl (2E)-2-({4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-5-(4-methoxynaphthalen-1-yl)-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 8009-8535
ethyl (2E)-2-({4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-5-(4-methoxynaphthalen-1-yl)-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

8009-8535

Molecular Formula

C37H33ClN2O6S (C37 H33 ClN2 O6 S)

Compound Name

ethyl (2E)-2-({4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-5-(4-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

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

SMILES

CCOC(C(C(c(c1ccccc11)ccc1OC)N1C2=O)=C(C)N=C1S/C2=C/c(cc1)cc(OCC)c1OCc(cccc1)c1Cl)=O

InChI

InChI=1S/C37H33ClN2O6S/c1-5-44-31-19-23(15-17-30(31)46-21-24-11-7-10-14-28(24)38)20-32-35(41)40-34(33(36(42)45-6-2)22(3)39-37(40)47-32)27-16-18-29(43-4)26-13-9-8-12-25(26)27/h7-20,34H,5-6,21H2,1-4H3/t34-/m0/s1

InChI Key

NPVTZQYQTINPTE-UMSFTDKQSA-N

MDL Number (MFCD)

MFCD01799874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

669.2

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.547

Distribution Coefficient, logD

7.546

Water Solubility, LogSw

-6.49

Polar Surface Area

67.631

Acid Dissociation Constant (pKa)

26.17

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.60

References: we are preparing a list of scientific research reports with 8009-8535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8535?
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What is the minimum amount of 8009-8535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8535
  • 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 8009-8535 available by request