3009-4165 Screening compound: 4-hexyl-N-[2-(3-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]cyclohexane-1-carboxamide

3009-4165 Screening compound: 4-hexyl-N-[2-(3-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]cyclohexane-1-carboxamide
3009-4165 Screening compound: 4-hexyl-N-[2-(3-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3009-4165
4-hexyl-N-[2-(3-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]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

3009-4165

Molecular Formula

C27H32N4O4 (C27 H32 N4 O4)

Compound Name

4-hexyl-N-[2-(3-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]cyclohexane-1-carboxamide

IUPAC name

4-hexyl-N-[2-(3-nitrophenyl)-4-oxo-34-dihydroquinazolin-3-yl]cyclohexane-1-carboxamide

SMILES

CCCCCCC(CC1)CCC1C(NN(C(c1cccc([N+]([O-])=O)c1)=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C27H32N4O4/c1-2-3-4-5-9-19-14-16-20(17-15-19)26(32)29-30-25(21-10-8-11-22(18-21)31(34)35)28-24-13-7-6-12-23(24)27(30)33/h6-8,10-13,18-20H,2-5,9,14-17H2,1H3,(H,29,32)

InChI Key

JBYMCPNGEAXMAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.071

Distribution Coefficient, logD

6.070

Water Solubility, LogSw

-5.45

Polar Surface Area

85.325

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

3009-4165 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3009-4165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3009-4165?
Check Price and Availability of 3009-4165, 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 3009-4165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3009-4165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3009-4165
  • 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 3009-4165 available by request