D491-7419 Screening compound: 4-chloro-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]benzamide

D491-7419 Screening compound: 4-chloro-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]benzamide
D491-7419 Screening compound: 4-chloro-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-7419
4-chloro-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

D491-7419

Molecular Formula

C18H21ClN2O2 (C18 H21 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(CNC(c(cc2)ccc2Cl)=O)N2CCCC2)o1

InChI

InChI=1S/C18H21ClN2O2/c1-13-4-9-17(23-13)16(21-10-2-3-11-21)12-20-18(22)14-5-7-15(19)8-6-14/h4-9,16H,2-3,10-12H2,1H3,(H,20,22)/t16-/m0/s1

InChI Key

QKZAQFUMKBDNIA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14832624

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

332.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-3.83

Polar Surface Area

36.100

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D491-7419 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D491-7419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-7419?
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What is the minimum amount of D491-7419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-7419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-7419
  • 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 D491-7419 available by request