0687-0896 Screening compound: 4'-butoxy-N-[2,2,2-trichloro-1-(piperidin-1-yl)ethyl]-[1,1'-biphenyl]-4-carboxamide

0687-0896 Screening compound: 4'-butoxy-N-[2,2,2-trichloro-1-(piperidin-1-yl)ethyl]-[1,1'-biphenyl]-4-carboxamide
0687-0896 Screening compound: 4'-butoxy-N-[2,2,2-trichloro-1-(piperidin-1-yl)ethyl]-[1,1'-biphenyl]-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0687-0896
4'-butoxy-N-[2,2,2-trichloro-1-(piperidin-1-yl)ethyl]-[1,1'-biphenyl]-4-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

0687-0896

Molecular Formula

C24H29Cl3N2O2 (C24 H29 Cl3 N2 O2)

Compound Name

4'-butoxy-N-[2,2,2-trichloro-1-(piperidin-1-yl)ethyl]-[1,1'-biphenyl]-4-carboxamide

IUPAC name

4'-butoxy-N-[222-trichloro-1-(piperidin-1-yl)ethyl]-[11'-biphenyl]-4-carboxamide

SMILES

CCCCOc(cc1)ccc1-c(cc1)ccc1C(NC(C(Cl)(Cl)Cl)N1CCCCC1)=O

InChI

InChI=1S/C24H29Cl3N2O2/c1-2-3-17-31-21-13-11-19(12-14-21)18-7-9-20(10-8-18)22(30)28-23(24(25,26)27)29-15-5-4-6-16-29/h7-14,23H,2-6,15-17H2,1H3,(H,28,30)/t23-/m0/s1

InChI Key

FRMLATCZWSSECN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00857580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.814

Distribution Coefficient, logD

6.745

Water Solubility, LogSw

-6.40

Polar Surface Area

33.643

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

0687-0896 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0687-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0687-0896?
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What is the minimum amount of 0687-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0687-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0687-0896
  • 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 0687-0896 available by request