K400-09479 Screening compound: N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide

K400-09479 Screening compound: N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
K400-09479 Screening compound: N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-09479
N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)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

K400-09479

Molecular Formula

C25H26N8O4S3 (C25 H26 N8 O4 S3)

Compound Name

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

IUPAC name

N-{[5-({[(5-methyl-134-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-124-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide

SMILES

Cc1nnc(NC(CSc2nnc(CNC(c(cc3)ccc3S(N3CCCC3)(=O)=O)=O)n2-c2ccccc2)=O)s1

InChI

InChI=1S/C25H26N8O4S3/c1-17-28-30-24(39-17)27-22(34)16-38-25-31-29-21(33(25)19-7-3-2-4-8-19)15-26-23(35)18-9-11-20(12-10-18)40(36,37)32-13-5-6-14-32/h2-4,7-12H,5-6,13-16H2,1H3,(H,26,35)(H,27,30,34)

InChI Key

GICLEGCRASOXPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.73

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.066

Distribution Coefficient, logD

2.025

Water Solubility, LogSw

-2.64

Polar Surface Area

128.951

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

K400-09479 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K400-09479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-09479?
Check Price and Availability of K400-09479, 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 K400-09479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-09479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-09479
  • 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 K400-09479 available by request