K786-2176 Screening compound: 3-acetamido-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[(4-methylphenyl)sulfanyl]benzamide

K786-2176 Screening compound: 3-acetamido-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[(4-methylphenyl)sulfanyl]benzamide
K786-2176 Screening compound: 3-acetamido-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[(4-methylphenyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2176
3-acetamido-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[(4-methylphenyl)sulfanyl]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

K786-2176

Molecular Formula

C25H34N4O2S (C25 H34 N4 O2 S)

Compound Name

3-acetamido-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[(4-methylphenyl)sulfanyl]benzamide

IUPAC name

3-acetamido-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[(4-methylphenyl)sulfanyl]benzamide

SMILES

CCN1CCN(CCCNC(c(cc2)cc(NC(C)=O)c2Sc2ccc(C)cc2)=O)CC1

InChI

InChI=1S/C25H34N4O2S/c1-4-28-14-16-29(17-15-28)13-5-12-26-25(31)21-8-11-24(23(18-21)27-20(3)30)32-22-9-6-19(2)7-10-22/h6-11,18H,4-5,12-17H2,1-3H3,(H,26,31)(H,27,30)

InChI Key

QQCQBQZUGFLJIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

1.930

Water Solubility, LogSw

-3.29

Polar Surface Area

54.305

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

K786-2176 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K786-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2176?
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What is the minimum amount of K786-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2176
  • 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 K786-2176 available by request