2029-0106 Screening compound: ethyl (2Z)-2-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2029-0106 Screening compound: ethyl (2Z)-2-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2029-0106 Screening compound: ethyl (2Z)-2-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(4-methoxyphenyl)-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 2029-0106
ethyl (2Z)-2-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(4-methoxyphenyl)-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

2029-0106

Molecular Formula

C29H33N3O5S (C29 H33 N3 O5 S)

Compound Name

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

IUPAC name

ethyl (2Z)-2-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCN(CC)c1cc(OC)c(/C=C(/C(N2C3c(cc4)ccc4OC)=O)\SC2=NC(C)=C3C(OCC)=O)cc1

InChI

InChI=1S/C29H33N3O5S/c1-7-31(8-2)21-13-10-20(23(17-21)36-6)16-24-27(33)32-26(19-11-14-22(35-5)15-12-19)25(28(34)37-9-3)18(4)30-29(32)38-24/h10-17,26H,7-9H2,1-6H3/t26-/m1/s1

InChI Key

JSRMECGTBAKOMJ-AREMUKBSSA-N

MDL Number (MFCD)

MFCD01455780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.523

Distribution Coefficient, logD

5.521

Water Solubility, LogSw

-5.51

Polar Surface Area

63.658

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with 2029-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2029-0106?
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What is the minimum amount of 2029-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2029-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2029-0106
  • 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 2029-0106 available by request