K208-0029 Screening compound: 1-({[4-bromo-2-(2-bromobenzoyl)phenyl]carbamoyl}methyl)piperidine-4-carboxamide

K208-0029 Screening compound: 1-({[4-bromo-2-(2-bromobenzoyl)phenyl]carbamoyl}methyl)piperidine-4-carboxamide
K208-0029 Screening compound: 1-({[4-bromo-2-(2-bromobenzoyl)phenyl]carbamoyl}methyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K208-0029
1-({[4-bromo-2-(2-bromobenzoyl)phenyl]carbamoyl}methyl)piperidine-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

K208-0029

Molecular Formula

C21H21Br2N3O3 (C21 H21 Br2 N3 O3)

Compound Name

1-({[4-bromo-2-(2-bromobenzoyl)phenyl]carbamoyl}methyl)piperidine-4-carboxamide

IUPAC name

1-({[4-bromo-2-(2-bromobenzoyl)phenyl]carbamoyl}methyl)piperidine-4-carboxamide

SMILES

NC(C1CCN(CC(Nc(ccc(Br)c2)c2C(c(cccc2)c2Br)=O)=O)CC1)=O

InChI

InChI=1S/C21H21Br2N3O3/c22-14-5-6-18(16(11-14)20(28)15-3-1-2-4-17(15)23)25-19(27)12-26-9-7-13(8-10-26)21(24)29/h1-6,11,13H,7-10,12H2,(H2,24,29)(H,25,27)

InChI Key

KNCDYAADAKCNKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01844329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-4.16

Polar Surface Area

73.948

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K208-0029 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K208-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K208-0029?
Check Price and Availability of K208-0029, 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 K208-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K208-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K208-0029
  • 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 K208-0029 available by request