K400-02871 Screening compound: 4-butoxy-N-({4-phenyl-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide

K400-02871 Screening compound: 4-butoxy-N-({4-phenyl-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
K400-02871 Screening compound: 4-butoxy-N-({4-phenyl-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-02871
4-butoxy-N-({4-phenyl-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)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

K400-02871

Molecular Formula

C29H28F3N5O3S (C29 H28 F3 N5 O3 S)

Compound Name

4-butoxy-N-({4-phenyl-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide

IUPAC name

4-butoxy-N-({4-phenyl-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-124-triazol-3-yl}methyl)benzamide

SMILES

CCCCOc(cc1)ccc1C(NCc(n1-c2ccccc2)nnc1SCC(Nc1c(C(F)(F)F)cccc1)=O)=O

InChI

InChI=1S/C29H28F3N5O3S/c1-2-3-17-40-22-15-13-20(14-16-22)27(39)33-18-25-35-36-28(37(25)21-9-5-4-6-10-21)41-19-26(38)34-24-12-8-7-11-23(24)29(30,31)32/h4-16H,2-3,17-19H2,1H3,(H,33,39)(H,34,38)

InChI Key

OMRHAXGLYUKNAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.420

Distribution Coefficient, logD

5.420

Water Solubility, LogSw

-5.27

Polar Surface Area

80.243

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

K400-02871 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K400-02871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-02871?
Check Price and Availability of K400-02871, 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 K400-02871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-02871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-02871
  • 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 K400-02871 available by request