8010-3803 Screening compound: methyl (2Z)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

8010-3803 Screening compound: methyl (2Z)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
8010-3803 Screening compound: methyl (2Z)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3803
methyl (2Z)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-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

8010-3803

Molecular Formula

C26H23BrN2O5S (C26 H23 BrN2 O5 S)

Compound Name

methyl (2Z)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl (2Z)-2-[(6-bromo-2H-13-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(C)c1ccc(C2N(C(/C(/S3)=C/c(cc4OCOc4c4)c4Br)=O)C3=NC(C)=C2C(OC)=O)cc1

InChI

InChI=1S/C26H23BrN2O5S/c1-13(2)15-5-7-16(8-6-15)23-22(25(31)32-4)14(3)28-26-29(23)24(30)21(35-26)10-17-9-19-20(11-18(17)27)34-12-33-19/h5-11,13,23H,12H2,1-4H3/t23-/m0/s1

InChI Key

PMCHFVBNLUVJKW-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01872144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.45

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

5.818

Distribution Coefficient, logD

5.818

Water Solubility, LogSw

-5.50

Polar Surface Area

63.283

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 8010-3803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3803?
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What is the minimum amount of 8010-3803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3803
  • 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 8010-3803 available by request