T396-1010 Screening compound: N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-2H-1,3-benzodioxole-5-carboxamide

T396-1010 Screening compound: N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-2H-1,3-benzodioxole-5-carboxamide
T396-1010 Screening compound: N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T396-1010
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-2H-1,3-benzodioxole-5-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

T396-1010

Molecular Formula

C22H24N4O4 (C22 H24 N4 O4)

Compound Name

N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc(cc1)cnc1N(CCN1C2CCCCC2)C1=O

InChI

InChI=1S/C22H24N4O4/c27-21(15-6-8-18-19(12-15)30-14-29-18)24-16-7-9-20(23-13-16)26-11-10-25(22(26)28)17-4-2-1-3-5-17/h6-9,12-13,17H,1-5,10-11,14H2,(H,24,27)

InChI Key

XYPDDQAEOAGDAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29023568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.230

Distribution Coefficient, logD

4.230

Water Solubility, LogSw

-4.10

Polar Surface Area

68.358

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

T396-1010 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
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 T396-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T396-1010?
Check Price and Availability of T396-1010, 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 T396-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T396-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T396-1010
  • 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 T396-1010 available by request