D388-0477 Screening compound: 3,4,5-trimethoxy-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide

D388-0477 Screening compound: 3,4,5-trimethoxy-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide
D388-0477 Screening compound: 3,4,5-trimethoxy-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0477
3,4,5-trimethoxy-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide

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

D388-0477

Molecular Formula

C20H26N2O4S (C20 H26 N2 O4 S)

Compound Name

3,4,5-trimethoxy-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide

IUPAC name

345-trimethoxy-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide

SMILES

COc1cc(C(NCC(c2cccs2)N2CCCC2)=O)cc(OC)c1OC

InChI

InChI=1S/C20H26N2O4S/c1-24-16-11-14(12-17(25-2)19(16)26-3)20(23)21-13-15(18-7-6-10-27-18)22-8-4-5-9-22/h6-7,10-12,15H,4-5,8-9,13H2,1-3H3,(H,21,23)/t15-/m0/s1

InChI Key

UVJISYHBNXUNMV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD12312038

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

390.5

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

2.385

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-2.92

Polar Surface Area

52.003

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

D388-0477 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D388-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0477?
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What is the minimum amount of D388-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0477
  • 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 D388-0477 available by request