K788-4021 Screening compound: N-[3-(butylsulfanyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide

K788-4021 Screening compound: N-[3-(butylsulfanyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
K788-4021 Screening compound: N-[3-(butylsulfanyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4021
N-[3-(butylsulfanyl)propyl]-3-(2-oxopyrrolidin-1-yl)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

K788-4021

Molecular Formula

C18H26N2O2S (C18 H26 N2 O2 S)

Compound Name

N-[3-(butylsulfanyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide

IUPAC name

N-[3-(butylsulfanyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide

SMILES

CCCCSCCCNC(c1cc(N(CCC2)C2=O)ccc1)=O

InChI

InChI=1S/C18H26N2O2S/c1-2-3-12-23-13-6-10-19-18(22)15-7-4-8-16(14-15)20-11-5-9-17(20)21/h4,7-8,14H,2-3,5-6,9-13H2,1H3,(H,19,22)

InChI Key

WFGICBDLLFYPQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.028

Distribution Coefficient, logD

3.028

Water Solubility, LogSw

-3.37

Polar Surface Area

41.581

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

K788-4021 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K788-4021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4021?
Check Price and Availability of K788-4021, 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 K788-4021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4021
  • 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 K788-4021 available by request