2388-1041 Screening compound: methyl (2Z)-2-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2388-1041 Screening compound: methyl (2Z)-2-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2388-1041 Screening compound: methyl (2Z)-2-[(1,3-diphenyl-1H-pyrazol-4-yl)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 2388-1041
methyl (2Z)-2-[(1,3-diphenyl-1H-pyrazol-4-yl)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

2388-1041

Molecular Formula

C32H26N4O4S (C32 H26 N4 O4 S)

Compound Name

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

IUPAC name

methyl (2Z)-2-[(13-diphenyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C(N(C1c(cc2)ccc2OC)C2=O)S/C2=C\c2cn(-c3ccccc3)nc2-c2ccccc2)=C1C(OC)=O

InChI

InChI=1S/C32H26N4O4S/c1-20-27(31(38)40-3)29(22-14-16-25(39-2)17-15-22)36-30(37)26(41-32(36)33-20)18-23-19-35(24-12-8-5-9-13-24)34-28(23)21-10-6-4-7-11-21/h4-19,29H,1-3H3/t29-/m1/s1

InChI Key

COFKDYWZAYVZOC-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD01072485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.515

Distribution Coefficient, logD

5.515

Water Solubility, LogSw

-5.55

Polar Surface Area

68.344

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

2388-1041 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 2388-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-1041?
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What is the minimum amount of 2388-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2388-1041
  • 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 2388-1041 available by request