2524-3823 Screening compound: BENZYL 2-METHYL-5-OXO-4-(THIOPHEN-2-YL)-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE

2524-3823 Screening compound: BENZYL 2-METHYL-5-OXO-4-(THIOPHEN-2-YL)-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE
2524-3823 Screening compound: BENZYL 2-METHYL-5-OXO-4-(THIOPHEN-2-YL)-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2524-3823
BENZYL 2-METHYL-5-OXO-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

2524-3823

Molecular Formula

C22H21NO3S (C22 H21 NO3 S)

Compound Name

BENZYL 2-METHYL-5-OXO-4-(THIOPHEN-2-YL)-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE

IUPAC name

n/a

SMILES

CC(NC(CCC1)=C(C2c3cccs3)C1=O)=C2C(OCc1ccccc1)=O

InChI

InChI=1S/C22H21NO3S/c1-14-19(22(25)26-13-15-7-3-2-4-8-15)21(18-11-6-12-27-18)20-16(23-14)9-5-10-17(20)24/h2-4,6-8,11-12,21,23H,5,9-10,13H2,1H3/t21-/m0/s1

InChI Key

YECVJGFDPDWYFK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00771232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

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

3.998

Distribution Coefficient, logD

0.207

Water Solubility, LogSw

-4.38

Polar Surface Area

45.797

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

2524-3823 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 2524-3823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2524-3823?
Check Price and Availability of 2524-3823, 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 2524-3823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2524-3823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2524-3823
  • 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 2524-3823 available by request