C512-0111 Screening compound: 3-(4-ethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-3,4-dihydroquinazolin-4-one

C512-0111 Screening compound: 3-(4-ethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-3,4-dihydroquinazolin-4-one
C512-0111 Screening compound: 3-(4-ethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C512-0111
3-(4-ethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-3,4-dihydroquinazolin-4-one

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

C512-0111

Molecular Formula

C26H25N5O3 (C26 H25 N5 O3)

Compound Name

3-(4-ethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-3,4-dihydroquinazolin-4-one

IUPAC name

3-(4-ethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-34-dihydroquinazolin-4-one

SMILES

CCc(cc1)ccc1N1C(N(CC2)CCN2c(cc2)ccc2[N+]([O-])=O)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C26H25N5O3/c1-2-19-7-9-21(10-8-19)30-25(32)23-5-3-4-6-24(23)27-26(30)29-17-15-28(16-18-29)20-11-13-22(14-12-20)31(33)34/h3-14H,2,15-18H2,1H3

InChI Key

BYMXCOBBYQKFFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.593

Distribution Coefficient, logD

4.593

Water Solubility, LogSw

-4.43

Polar Surface Area

64.853

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C512-0111 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C512-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C512-0111?
Check Price and Availability of C512-0111, 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 C512-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C512-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C512-0111
  • 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 C512-0111 available by request