D388-0543 Screening compound: 3,5-dimethyl-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide

D388-0543 Screening compound: 3,5-dimethyl-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide
D388-0543 Screening compound: 3,5-dimethyl-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0543
3,5-dimethyl-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-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

D388-0543

Molecular Formula

C21H24N2O2S (C21 H24 N2 O2 S)

Compound Name

3,5-dimethyl-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide

IUPAC name

35-dimethyl-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCC(c2cccs2)N2CCCC2)=O)oc2c1cc(C)cc2

InChI

InChI=1S/C21H24N2O2S/c1-14-7-8-18-16(12-14)15(2)20(25-18)21(24)22-13-17(19-6-5-11-26-19)23-9-3-4-10-23/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3,(H,22,24)/t17-/m0/s1

InChI Key

DKNBTAPJKNEOKV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD18077277

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

368.5

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

4.188

Distribution Coefficient, logD

3.647

Water Solubility, LogSw

-4.12

Polar Surface Area

37.551

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D388-0543 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 D388-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0543?
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What is the minimum amount of D388-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0543
  • 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 D388-0543 available by request