K415-0133 Screening compound: N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3,4-diethoxybenzamide

K415-0133 Screening compound: N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3,4-diethoxybenzamide
K415-0133 Screening compound: N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3,4-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K415-0133
N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3,4-diethoxybenzamide

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

K415-0133

Molecular Formula

C25H23BrN4O3 (C25 H23 BrN4 O3)

Compound Name

N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3,4-diethoxybenzamide

IUPAC name

N-{4-[5-(4-bromophenyl)-1H-123-triazol-1-yl]phenyl}-34-diethoxybenzamide

SMILES

CCOc(ccc(C(Nc(cc1)ccc1-n1nncc1-c(cc1)ccc1Br)=O)c1)c1OCC

InChI

InChI=1S/C25H23BrN4O3/c1-3-32-23-14-7-18(15-24(23)33-4-2)25(31)28-20-10-12-21(13-11-20)30-22(16-27-29-30)17-5-8-19(26)9-6-17/h5-16H,3-4H2,1-2H3,(H,28,31)

InChI Key

CFGBJNAEOSFZTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.339

Distribution Coefficient, logD

5.339

Water Solubility, LogSw

-5.22

Polar Surface Area

63.734

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

K415-0133 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K415-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K415-0133?
Check Price and Availability of K415-0133, 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 K415-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K415-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K415-0133
  • 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 K415-0133 available by request