K977-0184 Screening compound: N6-BUTYL-2-{[(3-METHYLBENZYL)SULFONYL]METHYL}-3-OXO-1

K977-0184 Screening compound: N6-BUTYL-2-{[(3-METHYLBENZYL)SULFONYL]METHYL}-3-OXO-1
K977-0184 Screening compound: N6-BUTYL-2-{[(3-METHYLBENZYL)SULFONYL]METHYL}-3-OXO-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound K977-0184
N6-BUTYL-2-{[(3-METHYLBENZYL)SULFONYL]METHYL}-3-OXO-1

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

K977-0184

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

N6-BUTYL-2-{[(3-METHYLBENZYL)SULFONYL]METHYL}-3-OXO-1

IUPAC name

n/a

SMILES

CCCCNC(c(cc1)cc(N2)c1NC(CS(Cc1cc(C)ccc1)(=O)=O)C2=O)=O

InChI

InChI=1S/C22H27N3O4S/c1-3-4-10-23-21(26)17-8-9-18-19(12-17)25-22(27)20(24-18)14-30(28,29)13-16-7-5-6-15(2)11-16/h5-9,11-12,20,24H,3-4,10,13-14H2,1-2H3,(H,23,26)(H,25,27)/t20-/m0/s1

InChI Key

QOJJOLPHFSXMOY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15115547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.042

Distribution Coefficient, logD

3.041

Water Solubility, LogSw

-3.40

Polar Surface Area

89.924

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.00

K977-0184 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K977-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K977-0184?
Check Price and Availability of K977-0184, 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 K977-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K977-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K977-0184
  • 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 K977-0184 available by request