D631-0139 Screening compound: 1-[4-(1H-1,3-benzodiazol-2-yl)piperidin-1-yl]-3-(5-methoxy-1H-indol-1-yl)propan-1-one

D631-0139 Screening compound: 1-[4-(1H-1,3-benzodiazol-2-yl)piperidin-1-yl]-3-(5-methoxy-1H-indol-1-yl)propan-1-one
D631-0139 Screening compound: 1-[4-(1H-1,3-benzodiazol-2-yl)piperidin-1-yl]-3-(5-methoxy-1H-indol-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D631-0139
1-[4-(1H-1,3-benzodiazol-2-yl)piperidin-1-yl]-3-(5-methoxy-1H-indol-1-yl)propan-1-one

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

D631-0139

Molecular Formula

C24H26N4O2 (C24 H26 N4 O2)

Compound Name

1-[4-(1H-1,3-benzodiazol-2-yl)piperidin-1-yl]-3-(5-methoxy-1H-indol-1-yl)propan-1-one

IUPAC name

1-[4-(1H-13-benzodiazol-2-yl)piperidin-1-yl]-3-(5-methoxy-1H-indol-1-yl)propan-1-one

SMILES

COc(cc1)cc2c1n(CCC(N(CC1)CCC1c1nc(cccc3)c3[nH]1)=O)cc2

InChI

InChI=1S/C24H26N4O2/c1-30-19-6-7-22-18(16-19)10-12-27(22)15-11-23(29)28-13-8-17(9-14-28)24-25-20-4-2-3-5-21(20)26-24/h2-7,10,12,16-17H,8-9,11,13-15H2,1H3,(H,25,26)

InChI Key

YRPXWRFOZUBKAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13968896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.662

Water Solubility, LogSw

-3.87

Polar Surface Area

45.012

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D631-0139 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D631-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D631-0139?
Check Price and Availability of D631-0139, 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 D631-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D631-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D631-0139
  • 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 D631-0139 available by request