K786-5017 Screening compound: 2-(2-bromophenyl)-N-[3-(morpholin-4-yl)propyl]-N-[(thiophen-2-yl)methyl]acetamide

K786-5017 Screening compound: 2-(2-bromophenyl)-N-[3-(morpholin-4-yl)propyl]-N-[(thiophen-2-yl)methyl]acetamide
K786-5017 Screening compound: 2-(2-bromophenyl)-N-[3-(morpholin-4-yl)propyl]-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5017
2-(2-bromophenyl)-N-[3-(morpholin-4-yl)propyl]-N-[(thiophen-2-yl)methyl]acetamide

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

K786-5017

Molecular Formula

C20H25BrN2O2S (C20 H25 BrN2 O2 S)

Compound Name

2-(2-bromophenyl)-N-[3-(morpholin-4-yl)propyl]-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-(2-bromophenyl)-N-[3-(morpholin-4-yl)propyl]-N-[(thiophen-2-yl)methyl]acetamide

SMILES

O=C(Cc(cccc1)c1Br)N(CCCN1CCOCC1)Cc1cccs1

InChI

InChI=1S/C20H25BrN2O2S/c21-19-7-2-1-5-17(19)15-20(24)23(16-18-6-3-14-26-18)9-4-8-22-10-12-25-13-11-22/h1-3,5-7,14H,4,8-13,15-16H2

InChI Key

CDLUUZFRXKFDBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832212

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

437.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.606

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.46

Polar Surface Area

28.538

Acid Dissociation Constant (pKa)

17.63

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

K786-5017 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 K786-5017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5017?
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What is the minimum amount of K786-5017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5017
  • 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 K786-5017 available by request