D388-0273 Screening compound: N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-methoxybenzamide

D388-0273 Screening compound: N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-methoxybenzamide
D388-0273 Screening compound: N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0273
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-methoxybenzamide

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

D388-0273

Molecular Formula

C22H27ClN2O2 (C22 H27 ClN2 O2)

Compound Name

N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-methoxybenzamide

IUPAC name

N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-methoxybenzamide

SMILES

COc(cccc1)c1C(NCC(c(cccc1)c1Cl)N1CCCCCC1)=O

InChI

InChI=1S/C22H27ClN2O2/c1-27-21-13-7-5-11-18(21)22(26)24-16-20(17-10-4-6-12-19(17)23)25-14-8-2-3-9-15-25/h4-7,10-13,20H,2-3,8-9,14-16H2,1H3,(H,24,26)/t20-/m0/s1

InChI Key

HSQDGKGEAJCAFN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD12915629

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

386.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-4.74

Polar Surface Area

35.603

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D388-0273 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D388-0273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0273?
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What is the minimum amount of D388-0273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0273
  • 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 D388-0273 available by request