8009-8531 Screening compound: ethyl (2E)-2-{[5-bromo-4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

8009-8531 Screening compound: ethyl (2E)-2-{[5-bromo-4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
8009-8531 Screening compound: ethyl (2E)-2-{[5-bromo-4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(2-methoxynaphthalen-1-yl)-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 8009-8531
ethyl (2E)-2-{[5-bromo-4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(2-methoxynaphthalen-1-yl)-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

8009-8531

Molecular Formula

C38H36BrN3O5S (C38 H36 BrN3 O5 S)

Compound Name

ethyl (2E)-2-{[5-bromo-4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2E)-2-{[5-bromo-4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCN(CC)c(cc(c(/C=C(\C(N1C2c(c3ccccc3cc3)c3OC)=O)/SC1=NC(c1ccccc1)=C2C(OCC)=O)c1)OC)c1Br

InChI

InChI=1S/C38H36BrN3O5S/c1-6-41(7-2)28-22-30(46-5)25(20-27(28)39)21-31-36(43)42-35(32-26-17-13-12-14-23(26)18-19-29(32)45-4)33(37(44)47-8-3)34(40-38(42)48-31)24-15-10-9-11-16-24/h9-22,35H,6-8H2,1-5H3/t35-/m1/s1

InChI Key

QFELPMNMGFNUIB-PGUFJCEWSA-N

MDL Number (MFCD)

MFCD01801936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

726.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.804

Distribution Coefficient, logD

8.804

Water Solubility, LogSw

-6.80

Polar Surface Area

63.402

Acid Dissociation Constant (pKa)

25.41

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.70

References: we are preparing a list of scientific research reports with 8009-8531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8531?
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What is the minimum amount of 8009-8531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8531
  • 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 8009-8531 available by request