2525-3951 Screening compound: propan-2-yl 2-methyl-5-oxo-7-phenyl-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2525-3951 Screening compound: propan-2-yl 2-methyl-5-oxo-7-phenyl-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2525-3951 Screening compound: propan-2-yl 2-methyl-5-oxo-7-phenyl-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2525-3951
propan-2-yl 2-methyl-5-oxo-7-phenyl-4-(thiophen-2-yl)-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

2525-3951

Molecular Formula

C24H25NO3S (C24 H25 NO3 S)

Compound Name

propan-2-yl 2-methyl-5-oxo-7-phenyl-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

propan-2-yl 2-methyl-5-oxo-7-phenyl-4-(thiophen-2-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OC(C(C1c2cccs2)=C(C)NC(CC(C2)c3ccccc3)=C1C2=O)=O

InChI

InChI=1S/C24H25NO3S/c1-14(2)28-24(27)21-15(3)25-18-12-17(16-8-5-4-6-9-16)13-19(26)22(18)23(21)20-10-7-11-29-20/h4-11,14,17,23,25H,12-13H2,1-3H3

InChI Key

HFRIPXYRMZPPFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.53

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

5.176

Distribution Coefficient, logD

0.544

Water Solubility, LogSw

-4.97

Polar Surface Area

45.101

Acid Dissociation Constant (pKa)

2.77

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

2525-3951 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 2525-3951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2525-3951?
Check Price and Availability of 2525-3951, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2525-3951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2525-3951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2525-3951
  • 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 2525-3951 available by request