D388-1093 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

D388-1093 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
D388-1093 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-1093
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3,6-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

D388-1093

Molecular Formula

C26H32N2O2 (C26 H32 N2 O2)

Compound Name

N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

IUPAC name

N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-36-dimethyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCC(c2ccc(C)cc2)N2CCCCCC2)=O)oc2c1ccc(C)c2

InChI

InChI=1S/C26H32N2O2/c1-18-8-11-21(12-9-18)23(28-14-6-4-5-7-15-28)17-27-26(29)25-20(3)22-13-10-19(2)16-24(22)30-25/h8-13,16,23H,4-7,14-15,17H2,1-3H3,(H,27,29)/t23-/m0/s1

InChI Key

XIRJHQQMUKCETD-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD12921203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.55

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

5.938

Distribution Coefficient, logD

5.190

Water Solubility, LogSw

-5.48

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

42.30

D388-1093 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system

References: we are preparing a list of scientific research reports with D388-1093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-1093?
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What is the minimum amount of D388-1093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-1093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-1093
  • 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 D388-1093 available by request