D491-8164 Screening compound: 3-methyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-1-benzofuran-2-carboxamide

D491-8164 Screening compound: 3-methyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
D491-8164 Screening compound: 3-methyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-8164
3-methyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-1-benzofuran-2-carboxamide

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

D491-8164

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

3-methyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-1-benzofuran-2-carboxamide

IUPAC name

3-methyl-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-1-benzofuran-2-carboxamide

SMILES

Cc1ccc(C(CNC(c2c(C)c(cccc3)c3o2)=O)N2CCCC2)o1

InChI

InChI=1S/C21H24N2O3/c1-14-9-10-19(25-14)17(23-11-5-6-12-23)13-22-21(24)20-15(2)16-7-3-4-8-18(16)26-20/h3-4,7-10,17H,5-6,11-13H2,1-2H3,(H,22,24)/t17-/m0/s1

InChI Key

CDXXEWXJVUQNIS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14832715

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

2.782

Water Solubility, LogSw

-3.95

Polar Surface Area

44.625

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D491-8164 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D491-8164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-8164?
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What is the minimum amount of D491-8164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-8164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-8164
  • 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 D491-8164 available by request