D232-0658 Screening compound: N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

D232-0658 Screening compound: N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
D232-0658 Screening compound: N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D232-0658
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-fluoro-3-methyl-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

D232-0658

Molecular Formula

C21H23FN2O3 (C21 H23 FN2 O3)

Compound Name

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCC(c(cccc2)c2OC)N(C)C)=O)oc(cc2)c1cc2F

InChI

InChI=1S/C21H23FN2O3/c1-13-16-11-14(22)9-10-19(16)27-20(13)21(25)23-12-17(24(2)3)15-7-5-6-8-18(15)26-4/h5-11,17H,12H2,1-4H3,(H,23,25)/t17-/m0/s1

InChI Key

ITETXHYKMPOYMC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD12920730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.42

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

3.876

Distribution Coefficient, logD

3.580

Water Solubility, LogSw

-4.08

Polar Surface Area

43.150

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D232-0658 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D232-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D232-0658?
Check Price and Availability of D232-0658, 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 D232-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D232-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D232-0658
  • 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 D232-0658 available by request