K297-0921 Screening compound: N-butyl-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide

K297-0921 Screening compound: N-butyl-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
K297-0921 Screening compound: N-butyl-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0921
N-butyl-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-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

K297-0921

Molecular Formula

C20H28N4OS (C20 H28 N4 OS)

Compound Name

N-butyl-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide

IUPAC name

N-butyl-4-{[(2-sulfanylidene-12-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide

SMILES

CCCCNC(C1CCC(CNC(c(cccc2)c2N2)=NC2=S)CC1)=O

InChI

InChI=1S/C20H28N4OS/c1-2-3-12-21-19(25)15-10-8-14(9-11-15)13-22-18-16-6-4-5-7-17(16)23-20(26)24-18/h4-7,14-15H,2-3,8-13H2,1H3,(H,21,25)(H2,22,23,24,26)

InChI Key

AORSJSVRUDIXHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.805

Distribution Coefficient, logD

3.258

Water Solubility, LogSw

-3.98

Polar Surface Area

55.780

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

K297-0921 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with K297-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0921?
Check Price and Availability of K297-0921, 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 K297-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0921
  • 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 K297-0921 available by request