1630-1552 Screening compound: pentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1552 Screening compound: pentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1552 Screening compound: pentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1552
pentyl 4-(3-fluorophenyl)-2-methyl-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

1630-1552

Molecular Formula

C22H26FNO3 (C22 H26 FNO3)

Compound Name

pentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

pentyl 4-(3-fluorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCCCOC(C(C1c2cccc(F)c2)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C22H26FNO3/c1-3-4-5-12-27-22(26)19-14(2)24-17-10-7-11-18(25)21(17)20(19)15-8-6-9-16(23)13-15/h6,8-9,13,20,24H,3-5,7,10-12H2,1-2H3/t20-/m0/s1

InChI Key

RMPRIJXXIUNJND-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00753295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.832

Distribution Coefficient, logD

0.936

Water Solubility, LogSw

-4.61

Polar Surface Area

44.969

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

1630-1552 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1630-1552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1552?
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What is the minimum amount of 1630-1552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1552
  • 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 1630-1552 available by request