4358-4641 Screening compound: N-cyclohexyl-N-methyl-2-(4-nitrophenyl)quinazolin-4-amine

4358-4641 Screening compound: N-cyclohexyl-N-methyl-2-(4-nitrophenyl)quinazolin-4-amine
4358-4641 Screening compound: N-cyclohexyl-N-methyl-2-(4-nitrophenyl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-4641
N-cyclohexyl-N-methyl-2-(4-nitrophenyl)quinazolin-4-amine

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

4358-4641

Molecular Formula

C21H22N4O2 (C21 H22 N4 O2)

Compound Name

N-cyclohexyl-N-methyl-2-(4-nitrophenyl)quinazolin-4-amine

IUPAC name

N-cyclohexyl-N-methyl-2-(4-nitrophenyl)quinazolin-4-amine

SMILES

CN(C1CCCCC1)c1nc(-c(cc2)ccc2[N+]([O-])=O)nc2ccccc12

InChI

InChI=1S/C21H22N4O2/c1-24(16-7-3-2-4-8-16)21-18-9-5-6-10-19(18)22-20(23-21)15-11-13-17(14-12-15)25(26)27/h5-6,9-14,16H,2-4,7-8H2,1H3

InChI Key

QMUZZYIDAKWWOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03285530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.047

Distribution Coefficient, logD

5.463

Water Solubility, LogSw

-5.86

Polar Surface Area

53.574

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4358-4641 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4358-4641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-4641?
Check Price and Availability of 4358-4641, 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 4358-4641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-4641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-4641
  • 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 4358-4641 available by request