D491-2537 Screening compound: N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide

D491-2537 Screening compound: N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
D491-2537 Screening compound: N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-2537
N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-7,8-dimethyl-4-oxo-4H-chromene-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

D491-2537

Molecular Formula

C28H34N2O3 (C28 H34 N2 O3)

Compound Name

N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-78-dimethyl-4-oxo-4H-chromene-2-carboxamide

SMILES

CC(C)(C)c1ccc(C(CNC(C(Oc2c3ccc(C)c2C)=CC3=O)=O)N2CCCC2)cc1

InChI

InChI=1S/C28H34N2O3/c1-18-8-13-22-24(31)16-25(33-26(22)19(18)2)27(32)29-17-23(30-14-6-7-15-30)20-9-11-21(12-10-20)28(3,4)5/h8-13,16,23H,6-7,14-15,17H2,1-5H3,(H,29,32)/t23-/m0/s1

InChI Key

CTIKNICYOVLSOE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD18076651

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.901

Distribution Coefficient, logD

4.541

Water Solubility, LogSw

-5.48

Polar Surface Area

49.510

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D491-2537 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 D491-2537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-2537?
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What is the minimum amount of D491-2537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-2537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-2537
  • 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 D491-2537 available by request