D491-2040 Screening compound: N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide

D491-2040 Screening compound: N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
D491-2040 Screening compound: N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-2040
N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-3,5-dimethyl-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

D491-2040

Molecular Formula

C27H34N2O2 (C27 H34 N2 O2)

Compound Name

N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide

IUPAC name

N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-35-dimethyl-1-benzofuran-2-carboxamide

SMILES

CC(C)(C)c1ccc(C(CNC(c2c(C)c(cc(C)cc3)c3o2)=O)N2CCCC2)cc1

InChI

InChI=1S/C27H34N2O2/c1-18-8-13-24-22(16-18)19(2)25(31-24)26(30)28-17-23(29-14-6-7-15-29)20-9-11-21(12-10-20)27(3,4)5/h8-13,16,23H,6-7,14-15,17H2,1-5H3,(H,28,30)/t23-/m0/s1

InChI Key

UPRDQEMOAUEHOF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14832380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.58

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

6.335

Distribution Coefficient, logD

5.178

Water Solubility, LogSw

-5.50

Polar Surface Area

36.533

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

D491-2040 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D491-2040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-2040?
Check Price and Availability of D491-2040, 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 D491-2040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-2040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-2040
  • 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 D491-2040 available by request