0832-2762 Screening compound: 3-[3-(4-methylphenyl)adamantan-1-yl]-1-[(E)-[(3-nitrophenyl)methylidene]amino]urea

0832-2762 Screening compound: 3-[3-(4-methylphenyl)adamantan-1-yl]-1-[(E)-[(3-nitrophenyl)methylidene]amino]urea
0832-2762 Screening compound: 3-[3-(4-methylphenyl)adamantan-1-yl]-1-[(E)-[(3-nitrophenyl)methylidene]amino]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0832-2762
3-[3-(4-methylphenyl)adamantan-1-yl]-1-[(E)-[(3-nitrophenyl)methylidene]amino]urea

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

0832-2762

Molecular Formula

C25H28N4O3 (C25 H28 N4 O3)

Compound Name

3-[3-(4-methylphenyl)adamantan-1-yl]-1-[(E)-[(3-nitrophenyl)methylidene]amino]urea

IUPAC name

3-[3-(4-methylphenyl)adamantan-1-yl]-1-[(E)-[(3-nitrophenyl)methylidene]amino]urea

SMILES

Cc1ccc(C(CC(C2)C3)(CC2C2)CC23NC(N/N=C/c2cccc([N+]([O-])=O)c2)=O)cc1

InChI

InChI=1S/C25H28N4O3/c1-17-5-7-21(8-6-17)24-11-19-9-20(12-24)14-25(13-19,16-24)27-23(30)28-26-15-18-3-2-4-22(10-18)29(31)32/h2-8,10,15,19-20H,9,11-14,16H2,1H3,(H2,27,28,30)

InChI Key

PIKQWKYEPINREY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.313

Distribution Coefficient, logD

6.313

Water Solubility, LogSw

-5.54

Polar Surface Area

78.894

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

0832-2762 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
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 0832-2762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0832-2762?
Check Price and Availability of 0832-2762, 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 0832-2762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0832-2762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0832-2762
  • 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 0832-2762 available by request