8014-2288 Screening compound: 3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-yl acetate

8014-2288 Screening compound: 3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-yl acetate
8014-2288 Screening compound: 3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2288
3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-yl acetate

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

8014-2288

Molecular Formula

C12H23NO2 (C12 H23 NO2)

Compound Name

3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-yl acetate

IUPAC name

33-dimethyl-1-(pyrrolidin-1-yl)butan-2-yl acetate

SMILES

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

InChI

InChI=1S/C12H23NO2/c1-10(14)15-11(12(2,3)4)9-13-7-5-6-8-13/h11H,5-9H2,1-4H3/t11-/m0/s1

InChI Key

DKXYAWDMVVNISY-NSHDSACASA-N

MDL Number (MFCD)

MFCD03768239

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

213.32

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

2.157

Distribution Coefficient, logD

0.366

Water Solubility, LogSw

-1.78

Polar Surface Area

25.012

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

91.67

8014-2288 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-2288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2288?
Check Price and Availability of 8014-2288, 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 8014-2288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2288
  • 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 8014-2288 available by request