1611-4794 Screening compound: ethyl (2E)-5-[4-(acetyloxy)phenyl]-2-{[4-(dimethylamino)phenyl]methylidene}-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

1611-4794 Screening compound: ethyl (2E)-5-[4-(acetyloxy)phenyl]-2-{[4-(dimethylamino)phenyl]methylidene}-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
1611-4794 Screening compound: ethyl (2E)-5-[4-(acetyloxy)phenyl]-2-{[4-(dimethylamino)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 1611-4794
ethyl (2E)-5-[4-(acetyloxy)phenyl]-2-{[4-(dimethylamino)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

1611-4794

Molecular Formula

C27H27N3O5S (C27 H27 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)ccc1OC(C)=O)N1C2=O)=C(C)N=C1S/C2=C/c(cc1)ccc1N(C)C)=O

InChI

InChI=1S/C27H27N3O5S/c1-6-34-26(33)23-16(2)28-27-30(24(23)19-9-13-21(14-10-19)35-17(3)31)25(32)22(36-27)15-18-7-11-20(12-8-18)29(4)5/h7-15,24H,6H2,1-5H3/t24-/m1/s1

InChI Key

RGQKPLINGCLMJI-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01246419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.051

Distribution Coefficient, logD

4.051

Water Solubility, LogSw

-4.08

Polar Surface Area

69.303

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 1611-4794 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-4794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-4794
  • 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 1611-4794 available by request