K297-1012 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide

K297-1012 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide
K297-1012 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-1012
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide

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

K297-1012

Molecular Formula

C28H38N6O2S (C28 H38 N6 O2 S)

Compound Name

N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide

IUPAC name

N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-6-[(2-sulfanylidene-12-dihydroquinazolin-4-yl)amino]hexanamide

SMILES

COc(cc1)ccc1N1CCN(CCCNC(CCCCCNC(c(cccc2)c2N2)=NC2=S)=O)CC1

InChI

InChI=1S/C28H38N6O2S/c1-36-23-13-11-22(12-14-23)34-20-18-33(19-21-34)17-7-16-29-26(35)10-3-2-6-15-30-27-24-8-4-5-9-25(24)31-28(37)32-27/h4-5,8-9,11-14H,2-3,6-7,10,15-21H2,1H3,(H,29,35)(H2,30,31,32,37)

InChI Key

NROOAOQPVGAYGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.721

Distribution Coefficient, logD

1.623

Water Solubility, LogSw

-3.54

Polar Surface Area

70.003

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

K297-1012 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with K297-1012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-1012?
Check Price and Availability of K297-1012, 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 K297-1012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-1012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-1012
  • 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 K297-1012 available by request