2388-1181 Screening compound: methyl (2Z)-2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2388-1181 Screening compound: methyl (2Z)-2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2388-1181 Screening compound: methyl (2Z)-2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]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 2388-1181
methyl (2Z)-2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]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

2388-1181

Molecular Formula

C29H21ClN4O3S2 (C29 H21 ClN4 O3 S2)

Compound Name

methyl (2Z)-2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]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-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C(N(C1c2cccs2)C2=O)S/C2=C\c2cn(-c3ccccc3)nc2-c(cc2)ccc2Cl)=C1C(OC)=O

InChI

InChI=1S/C29H21ClN4O3S2/c1-17-24(28(36)37-2)26(22-9-6-14-38-22)34-27(35)23(39-29(34)31-17)15-19-16-33(21-7-4-3-5-8-21)32-25(19)18-10-12-20(30)13-11-18/h3-16,26H,1-2H3/t26-/m0/s1

InChI Key

FUWUCZKBXFKMCV-SANMLTNESA-N

MDL Number (MFCD)

MFCD01072759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.857

Distribution Coefficient, logD

5.857

Water Solubility, LogSw

-6.12

Polar Surface Area

61.819

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.30

References: we are preparing a list of scientific research reports with 2388-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-1181?
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What is the minimum amount of 2388-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2388-1181
  • 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 2388-1181 available by request