D388-0112 Screening compound: N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-3,4,5-trimethoxybenzamide

D388-0112 Screening compound: N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-3,4,5-trimethoxybenzamide
D388-0112 Screening compound: N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0112
N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-3,4,5-trimethoxybenzamide

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

D388-0112

Molecular Formula

C22H27ClN2O4 (C22 H27 ClN2 O4)

Compound Name

N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-345-trimethoxybenzamide

SMILES

COc1cc(C(NCC(c(cccc2)c2Cl)N2CCCC2)=O)cc(OC)c1OC

InChI

InChI=1S/C22H27ClN2O4/c1-27-19-12-15(13-20(28-2)21(19)29-3)22(26)24-14-18(25-10-6-7-11-25)16-8-4-5-9-17(16)23/h4-5,8-9,12-13,18H,6-7,10-11,14H2,1-3H3,(H,24,26)/t18-/m0/s1

InChI Key

NSKGAADEUZKVAW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD12311148

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

418.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.348

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.73

Polar Surface Area

50.985

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D388-0112 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D388-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0112?
Check Price and Availability of D388-0112, 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 D388-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0112
  • 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 D388-0112 available by request