K788-2587 Screening compound: N-[3-(diethylamino)propyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-4-yl)quinoline-4-carboxamide

K788-2587 Screening compound: N-[3-(diethylamino)propyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-4-yl)quinoline-4-carboxamide
K788-2587 Screening compound: N-[3-(diethylamino)propyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-4-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2587
N-[3-(diethylamino)propyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-4-yl)quinoline-4-carboxamide

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

K788-2587

Molecular Formula

C28H37N5O3S (C28 H37 N5 O3 S)

Compound Name

N-[3-(diethylamino)propyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-4-yl)quinoline-4-carboxamide

IUPAC name

N-[3-(diethylamino)propyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-4-yl)quinoline-4-carboxamide

SMILES

CCN(CC)CCCNC(c1c(cc(cc2)S(N3CCC(C)CC3)(=O)=O)c2nc(-c2ccncc2)c1)=O

InChI

InChI=1S/C28H37N5O3S/c1-4-32(5-2)16-6-13-30-28(34)25-20-27(22-9-14-29-15-10-22)31-26-8-7-23(19-24(25)26)37(35,36)33-17-11-21(3)12-18-33/h7-10,14-15,19-21H,4-6,11-13,16-18H2,1-3H3,(H,30,34)

InChI Key

XEHNUJGGZSSTLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.435

Distribution Coefficient, logD

1.714

Water Solubility, LogSw

-4.03

Polar Surface Area

77.374

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

K788-2587 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K788-2587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2587?
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What is the minimum amount of K788-2587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2587
  • 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 K788-2587 available by request