8003-8223 Screening compound: ethyl 4-(4-bromo-2-thienyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8003-8223 Screening compound: ethyl 4-(4-bromo-2-thienyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8003-8223 Screening compound: ethyl 4-(4-bromo-2-thienyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8223
ethyl 4-(4-bromo-2-thienyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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

8003-8223

Molecular Formula

C19H22BrNO3S (C19 H22 BrNO3 S)

Compound Name

ethyl 4-(4-bromo-2-thienyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

ethyl 4-(4-bromothiophen-2-yl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C1c2cc(Br)cs2)=C(C)NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C19H22BrNO3S/c1-5-24-18(23)15-10(2)21-12-7-19(3,4)8-13(22)16(12)17(15)14-6-11(20)9-25-14/h6,9,17,21H,5,7-8H2,1-4H3/t17-/m0/s1

InChI Key

QPWXDXKJNJNZFE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00380346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.478

Distribution Coefficient, logD

0.038

Water Solubility, LogSw

-4.29

Polar Surface Area

45.693

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

References: we are preparing a list of scientific research reports with 8003-8223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8223?
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What is the minimum amount of 8003-8223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8223
  • 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 8003-8223 available by request