T403-0206 Screening compound: N3-[3-(METHYLANILINO)PROPYL]-1-[1

T403-0206 Screening compound: N3-[3-(METHYLANILINO)PROPYL]-1-[1
T403-0206 Screening compound: N3-[3-(METHYLANILINO)PROPYL]-1-[1 alternative view

Chemical Structure Depiction of ChemDiv screening compound T403-0206
N3-[3-(METHYLANILINO)PROPYL]-1-[1

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

T403-0206

Molecular Formula

C22H28N6O (C22 H28 N6 O)

Compound Name

N3-[3-(METHYLANILINO)PROPYL]-1-[1

IUPAC name

n/a

SMILES

CN(CCCNC(C(CCC1)CN1c1nnc2n1cccc2)=O)c1ccccc1

InChI

InChI=1S/C22H28N6O/c1-26(19-10-3-2-4-11-19)14-8-13-23-21(29)18-9-7-15-27(17-18)22-25-24-20-12-5-6-16-28(20)22/h2-6,10-12,16,18H,7-9,13-15,17H2,1H3,(H,23,29)/t18-/m0/s1

InChI Key

LEHUSQGLIFSBOU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD28121237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.681

Distribution Coefficient, logD

1.675

Water Solubility, LogSw

-1.86

Polar Surface Area

52.235

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

T403-0206 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T403-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T403-0206?
Check Price and Availability of T403-0206, 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 T403-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T403-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T403-0206
  • 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 T403-0206 available by request