K248-0065 Screening compound: N-BENZYL-4-[(5

K248-0065 Screening compound: N-BENZYL-4-[(5
K248-0065 Screening compound: N-BENZYL-4-[(5 alternative view

Chemical Structure Depiction of ChemDiv screening compound K248-0065
N-BENZYL-4-[(5

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

K248-0065

Molecular Formula

C21H23N3O4S2 (C21 H23 N3 O4 S2)

Compound Name

N-BENZYL-4-[(5

IUPAC name

n/a

SMILES

OCCN(Cc1ccccc1)C(c(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)=O

InChI

InChI=1S/C21H23N3O4S2/c25-11-10-24(12-15-4-2-1-3-5-15)20(26)16-6-8-17(9-7-16)22-21-23-18-13-30(27,28)14-19(18)29-21/h1-9,18-19,25H,10-14H2,(H,22,23)

InChI Key

IZQACCUTDNQMGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.544

Distribution Coefficient, logD

1.543

Water Solubility, LogSw

-2.19

Polar Surface Area

80.187

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

10.00

K248-0065 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K248-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0065?
Check Price and Availability of K248-0065, 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 K248-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0065
  • 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 K248-0065 available by request