5821-0074 Screening compound: 1-(pyrrolidin-1-yl)propan-2-yl 4-methylbenzoate

5821-0074 Screening compound: 1-(pyrrolidin-1-yl)propan-2-yl 4-methylbenzoate
5821-0074 Screening compound: 1-(pyrrolidin-1-yl)propan-2-yl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5821-0074
1-(pyrrolidin-1-yl)propan-2-yl 4-methylbenzoate

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

5821-0074

Molecular Formula

C15H21NO2 (C15 H21 NO2)

Compound Name

1-(pyrrolidin-1-yl)propan-2-yl 4-methylbenzoate

IUPAC name

1-(pyrrolidin-1-yl)propan-2-yl 4-methylbenzoate

SMILES

CC(CN1CCCC1)OC(c1ccc(C)cc1)=O

InChI

InChI=1S/C15H21NO2/c1-12-5-7-14(8-6-12)15(17)18-13(2)11-16-9-3-4-10-16/h5-8,13H,3-4,9-11H2,1-2H3/t13-/m0/s1

InChI Key

QPYGUEXPHAAOCM-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03828177

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

247.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-3.03

Polar Surface Area

24.653

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

8.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

5821-0074 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 5821-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5821-0074?
Check Price and Availability of 5821-0074, 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 5821-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5821-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5821-0074
  • 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 5821-0074 available by request