2388-1038 Screening compound: methyl (2Z)-2-[(3-bromophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2388-1038 Screening compound: methyl (2Z)-2-[(3-bromophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2388-1038 Screening compound: methyl (2Z)-2-[(3-bromophenyl)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 2388-1038
methyl (2Z)-2-[(3-bromophenyl)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

2388-1038

Molecular Formula

C23H19BrN2O4S (C23 H19 BrN2 O4 S)

Compound Name

methyl (2Z)-2-[(3-bromophenyl)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-[(3-bromophenyl)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\c2cccc(Br)c2)=C1C(OC)=O

InChI

InChI=1S/C23H19BrN2O4S/c1-13-19(22(28)30-3)20(15-7-9-17(29-2)10-8-15)26-21(27)18(31-23(26)25-13)12-14-5-4-6-16(24)11-14/h4-12,20H,1-3H3/t20-/m0/s1

InChI Key

QXQYKNFMFDFCIL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01072482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.806

Distribution Coefficient, logD

4.806

Water Solubility, LogSw

-4.83

Polar Surface Area

53.711

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 2388-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-1038?
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What is the minimum amount of 2388-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-1038
ChemDiv sends parcels with Express services (UPS, WC).
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  • 2–4 weeks for large selections
Delivery formats for 2388-1038
  • 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 2388-1038 available by request