K906-1854 Screening compound: N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

K906-1854 Screening compound: N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide
K906-1854 Screening compound: N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-1854
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

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

K906-1854

Molecular Formula

C20H22ClN3O5S2 (C20 H22 ClN3 O5 S2)

Compound Name

N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

SMILES

CN(c(ccc(S(NC(CCSC)C(NCc(cc1)ccc1Cl)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C20H22ClN3O5S2/c1-24-17-8-7-15(11-18(17)29-20(24)26)31(27,28)23-16(9-10-30-2)19(25)22-12-13-3-5-14(21)6-4-13/h3-8,11,16,23H,9-10,12H2,1-2H3,(H,22,25)/t16-/m0/s1

InChI Key

QNOLTEKXILGKDE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15112531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.591

Water Solubility, LogSw

-3.63

Polar Surface Area

89.391

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

K906-1854 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K906-1854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-1854?
Check Price and Availability of K906-1854, 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 K906-1854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-1854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-1854
  • 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 K906-1854 available by request