D491-1981 Screening compound: 6-bromo-3-methyl-N-[2-(morpholin-4-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide

D491-1981 Screening compound: 6-bromo-3-methyl-N-[2-(morpholin-4-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
D491-1981 Screening compound: 6-bromo-3-methyl-N-[2-(morpholin-4-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-1981
6-bromo-3-methyl-N-[2-(morpholin-4-yl)-2-[4-(propan-2-yl)phenyl]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

D491-1981

Molecular Formula

C25H29BrN2O3 (C25 H29 BrN2 O3)

Compound Name

6-bromo-3-methyl-N-[2-(morpholin-4-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide

IUPAC name

6-bromo-3-methyl-N-[2-(morpholin-4-yl)-2-[4-(propan-2-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide

SMILES

CC(C)c1ccc(C(CNC(c2c(C)c(ccc(Br)c3)c3o2)=O)N2CCOCC2)cc1

InChI

InChI=1S/C25H29BrN2O3/c1-16(2)18-4-6-19(7-5-18)22(28-10-12-30-13-11-28)15-27-25(29)24-17(3)21-9-8-20(26)14-23(21)31-24/h4-9,14,16,22H,10-13,15H2,1-3H3,(H,27,29)/t22-/m0/s1

InChI Key

LJIUQJXCTHDXCM-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14832373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.696

Distribution Coefficient, logD

5.688

Water Solubility, LogSw

-5.57

Polar Surface Area

44.075

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D491-1981 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D491-1981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-1981?
Check Price and Availability of D491-1981, 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 D491-1981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-1981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-1981
  • 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 D491-1981 available by request