1611-4802 Screening compound: ethyl (2E)-2-{[4-(acetyloxy)-3-ethoxyphenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

1611-4802 Screening compound: ethyl (2E)-2-{[4-(acetyloxy)-3-ethoxyphenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
1611-4802 Screening compound: ethyl (2E)-2-{[4-(acetyloxy)-3-ethoxyphenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-4802
ethyl (2E)-2-{[4-(acetyloxy)-3-ethoxyphenyl]methylidene}-7-methyl-3-oxo-5-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

1611-4802

Molecular Formula

C27H26N2O6S (C27 H26 N2 O6 S)

Compound Name

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

IUPAC name

ethyl (2E)-2-{[4-(acetyloxy)-3-ethoxyphenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c1ccccc1)N1C2=O)=C(C)N=C1S/C2=C/c(cc1)cc(OCC)c1OC(C)=O)=O

InChI

InChI=1S/C27H26N2O6S/c1-5-33-21-14-18(12-13-20(21)35-17(4)30)15-22-25(31)29-24(19-10-8-7-9-11-19)23(26(32)34-6-2)16(3)28-27(29)36-22/h7-15,24H,5-6H2,1-4H3/t24-/m1/s1

InChI Key

OADHIXRXNCJKQV-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01072333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.144

Distribution Coefficient, logD

4.144

Water Solubility, LogSw

-4.33

Polar Surface Area

73.795

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 1611-4802 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1611-4802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-4802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-4802
  • 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 1611-4802 available by request