D388-1092 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

D388-1092 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
D388-1092 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-1092
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-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

D388-1092

Molecular Formula

C25H30N2O2 (C25 H30 N2 O2)

Compound Name

N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCC(c2ccc(C)cc2)N2CCCCCC2)=O)oc2c1cccc2

InChI

InChI=1S/C25H30N2O2/c1-18-11-13-20(14-12-18)22(27-15-7-3-4-8-16-27)17-26-25(28)24-19(2)21-9-5-6-10-23(21)29-24/h5-6,9-14,22H,3-4,7-8,15-17H2,1-2H3,(H,26,28)/t22-/m0/s1

InChI Key

SGLOCGRDXJXUNL-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD12917284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.528

Distribution Coefficient, logD

4.779

Water Solubility, LogSw

-5.62

Polar Surface Area

36.498

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D388-1092 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D388-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-1092?
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What is the minimum amount of D388-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-1092
  • 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 D388-1092 available by request