K415-0057 Screening compound: N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-4-(dimethylsulfamoyl)benzamide

K415-0057 Screening compound: N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-4-(dimethylsulfamoyl)benzamide
K415-0057 Screening compound: N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-4-(dimethylsulfamoyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K415-0057
N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-4-(dimethylsulfamoyl)benzamide

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

K415-0057

Molecular Formula

C27H31N5O3S (C27 H31 N5 O3 S)

Compound Name

N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-4-(dimethylsulfamoyl)benzamide

IUPAC name

N-{4-[5-(adamantan-1-yl)-1H-123-triazol-1-yl]phenyl}-4-(dimethylsulfamoyl)benzamide

SMILES

CN(C)S(c(cc1)ccc1C(Nc(cc1)ccc1-n1nncc1C1(CC(C2)C3)CC3CC2C1)=O)(=O)=O

InChI

InChI=1S/C27H31N5O3S/c1-31(2)36(34,35)24-9-3-21(4-10-24)26(33)29-22-5-7-23(8-6-22)32-25(17-28-30-32)27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,17-20H,11-16H2,1-2H3,(H,29,33)

InChI Key

KMWMXQOKBIARSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04413050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.133

Distribution Coefficient, logD

5.133

Water Solubility, LogSw

-4.88

Polar Surface Area

83.011

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

K415-0057 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K415-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K415-0057?
Check Price and Availability of K415-0057, 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 K415-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K415-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K415-0057
  • 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 K415-0057 available by request