D491-7416 Screening compound: 4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]benzamide

D491-7416 Screening compound: 4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]benzamide
D491-7416 Screening compound: 4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-7416
4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]benzamide

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

D491-7416

Molecular Formula

C22H30N2O2 (C22 H30 N2 O2)

Compound Name

4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]benzamide

IUPAC name

4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NCC(c1ccc(C)o1)N1CCCC1)=O

InChI

InChI=1S/C22H30N2O2/c1-16-7-12-20(26-16)19(24-13-5-6-14-24)15-23-21(25)17-8-10-18(11-9-17)22(2,3)4/h7-12,19H,5-6,13-15H2,1-4H3,(H,23,25)/t19-/m0/s1

InChI Key

ZYXOWQOAAJEENY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14832621

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

354.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.505

Distribution Coefficient, logD

3.656

Water Solubility, LogSw

-4.10

Polar Surface Area

36.100

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D491-7416 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D491-7416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-7416?
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What is the minimum amount of D491-7416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-7416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-7416
  • 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 D491-7416 available by request