4358-4613 Screening compound: N-butyl-2-(4-nitrophenyl)quinazolin-4-amine

4358-4613 Screening compound: N-butyl-2-(4-nitrophenyl)quinazolin-4-amine
4358-4613 Screening compound: N-butyl-2-(4-nitrophenyl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-4613
N-butyl-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

4358-4613

Molecular Formula

C18H18N4O2 (C18 H18 N4 O2)

Compound Name

N-butyl-2-(4-nitrophenyl)quinazolin-4-amine

IUPAC name

N-butyl-2-(4-nitrophenyl)quinazolin-4-amine

SMILES

CCCCNc1nc(-c(cc2)ccc2[N+]([O-])=O)nc2ccccc12

InChI

InChI=1S/C18H18N4O2/c1-2-3-12-19-18-15-6-4-5-7-16(15)20-17(21-18)13-8-10-14(11-9-13)22(23)24/h4-11H,2-3,12H2,1H3,(H,19,20,21)

InChI Key

XYWDBKTVACZSES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02369140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.752

Distribution Coefficient, logD

5.486

Water Solubility, LogSw

-5.84

Polar Surface Area

62.622

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4358-4613 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4358-4613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-4613?
Check Price and Availability of 4358-4613, 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 4358-4613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-4613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-4613
  • 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 4358-4613 available by request