2388-1180 Screening compound: methyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(pyridin-3-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2388-1180 Screening compound: methyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(pyridin-3-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2388-1180 Screening compound: methyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(pyridin-3-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2388-1180
methyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(pyridin-3-yl)methylidene]-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

2388-1180

Molecular Formula

C22H19N3O4S (C22 H19 N3 O4 S)

Compound Name

methyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(pyridin-3-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(pyridin-3-yl)methylidene]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C(N(C1c(cc2)ccc2OC)C2=O)S/C2=C\c2cnccc2)=C1C(OC)=O

InChI

InChI=1S/C22H19N3O4S/c1-13-18(21(27)29-3)19(15-6-8-16(28-2)9-7-15)25-20(26)17(30-22(25)24-13)11-14-5-4-10-23-12-14/h4-12,19H,1-3H3/t19-/m1/s1

InChI Key

GIRAYBXADBCHMC-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01072758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.864

Distribution Coefficient, logD

2.864

Water Solubility, LogSw

-2.95

Polar Surface Area

63.229

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 2388-1180 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 2388-1180
ChemDiv sends parcels with Express services (UPS, WC).
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  • 2–4 weeks for large selections
Delivery formats for 2388-1180
  • 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 2388-1180 available by request