D388-0725 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide

D388-0725 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide
D388-0725 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0725
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3,4,6-trimethyl-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

D388-0725

Molecular Formula

C24H30N2O2S (C24 H30 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(NCC(c2cccs2)N2CCCCCC2)=O)oc2c1c(C)cc(C)c2

InChI

InChI=1S/C24H30N2O2S/c1-16-13-17(2)22-18(3)23(28-20(22)14-16)24(27)25-15-19(21-9-8-12-29-21)26-10-6-4-5-7-11-26/h8-9,12-14,19H,4-7,10-11,15H2,1-3H3,(H,25,27)/t19-/m0/s1

InChI Key

UNCUOTMQCPZZKO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD12920253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.58

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

5.502

Distribution Coefficient, logD

5.235

Water Solubility, LogSw

-5.48

Polar Surface Area

37.516

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

D388-0725 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 D388-0725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0725?
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What is the minimum amount of D388-0725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0725
  • 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 D388-0725 available by request