2388-1069 Screening compound: methyl (2Z)-2-{[4-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2388-1069 Screening compound: methyl (2Z)-2-{[4-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2388-1069 Screening compound: methyl (2Z)-2-{[4-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2388-1069
methyl (2Z)-2-{[4-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-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

2388-1069

Molecular Formula

C22H18N2O5S2 (C22 H18 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc1ccc(/C=C(/C(N2C3c4cccs4)=O)\SC2=NC(C)=C3C(OC)=O)cc1)=O

InChI

InChI=1S/C22H18N2O5S2/c1-12-18(21(27)28-3)19(16-5-4-10-30-16)24-20(26)17(31-22(24)23-12)11-14-6-8-15(9-7-14)29-13(2)25/h4-11,19H,1-3H3/t19-/m1/s1

InChI Key

UIFDIWGOEHSQCX-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01072513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

3.145

Water Solubility, LogSw

-3.40

Polar Surface Area

67.937

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 2388-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-1069?
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What is the minimum amount of 2388-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2388-1069
  • 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 2388-1069 available by request