D388-0631 Screening compound: 3,4,6-trimethyl-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide

D388-0631 Screening compound: 3,4,6-trimethyl-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide
D388-0631 Screening compound: 3,4,6-trimethyl-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0631
3,4,6-trimethyl-N-[2-(piperidin-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

D388-0631

Molecular Formula

C23H28N2O2S (C23 H28 N2 O2 S)

Compound Name

3,4,6-trimethyl-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide

IUPAC name

346-trimethyl-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCC(c2cccs2)N2CCCCC2)=O)oc2c1c(C)cc(C)c2

InChI

InChI=1S/C23H28N2O2S/c1-15-12-16(2)21-17(3)22(27-19(21)13-15)23(26)24-14-18(20-8-7-11-28-20)25-9-5-4-6-10-25/h7-8,11-13,18H,4-6,9-10,14H2,1-3H3,(H,24,26)/t18-/m0/s1

InChI Key

XKUHVXPOTFRIPB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD12914876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.55

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

5.006

Distribution Coefficient, logD

4.727

Water Solubility, LogSw

-4.75

Polar Surface Area

37.185

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

D388-0631 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 D388-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0631?
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What is the minimum amount of D388-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0631
  • 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 D388-0631 available by request