0573-2085 Screening compound: 2-({[4-(adamantan-1-yl)-2-methylphenyl]amino}methyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

0573-2085 Screening compound: 2-({[4-(adamantan-1-yl)-2-methylphenyl]amino}methyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione
0573-2085 Screening compound: 2-({[4-(adamantan-1-yl)-2-methylphenyl]amino}methyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0573-2085
2-({[4-(adamantan-1-yl)-2-methylphenyl]amino}methyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

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

0573-2085

Molecular Formula

C26H27N3O4 (C26 H27 N3 O4)

Compound Name

2-({[4-(adamantan-1-yl)-2-methylphenyl]amino}methyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-({[4-(adamantan-1-yl)-2-methylphenyl]amino}methyl)-4-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(cc(C1(CC(C2)C3)CC3CC2C1)cc1)c1NCN(C(c1cccc([N+]([O-])=O)c11)=O)C1=O

InChI

InChI=1S/C26H27N3O4/c1-15-7-19(26-11-16-8-17(12-26)10-18(9-16)13-26)5-6-21(15)27-14-28-24(30)20-3-2-4-22(29(32)33)23(20)25(28)31/h2-7,16-18,27H,8-14H2,1H3

InChI Key

WVCAUMSLYHODMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.225

Distribution Coefficient, logD

5.225

Water Solubility, LogSw

-5.23

Polar Surface Area

72.796

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

0573-2085 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 0573-2085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0573-2085?
Check Price and Availability of 0573-2085, 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 0573-2085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0573-2085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0573-2085
  • 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 0573-2085 available by request