1630-1354 Screening compound: prop-2-en-1-yl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1354 Screening compound: prop-2-en-1-yl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1354 Screening compound: prop-2-en-1-yl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1354
prop-2-en-1-yl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-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

1630-1354

Molecular Formula

C22H24ClNO3 (C22 H24 ClNO3)

Compound Name

prop-2-en-1-yl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

prop-2-en-1-yl 4-(3-chlorophenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c3cccc(Cl)c3)C(OCC=C)=O)=C2C1=O

InChI

InChI=1S/C22H24ClNO3/c1-5-9-27-21(26)18-13(2)24-16-11-22(3,4)12-17(25)20(16)19(18)14-7-6-8-15(23)10-14/h5-8,10,19,24H,1,9,11-12H2,2-4H3/t19-/m0/s1

InChI Key

CHPJCUXGCUFTHY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00717991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.424

Distribution Coefficient, logD

0.394

Water Solubility, LogSw

-4.56

Polar Surface Area

44.969

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

1630-1354 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1630-1354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1354?
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What is the minimum amount of 1630-1354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1354
  • 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 1630-1354 available by request