T040-0597 Screening compound: 3-(2-morpholino-4-pyridyl)-1-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]-1-propanone

T040-0597 Screening compound: 3-(2-morpholino-4-pyridyl)-1-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]-1-propanone
T040-0597 Screening compound: 3-(2-morpholino-4-pyridyl)-1-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0597
3-(2-morpholino-4-pyridyl)-1-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]-1-propanone

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

T040-0597

Molecular Formula

C21H28N6O2 (C21 H28 N6 O2)

Compound Name

3-(2-morpholino-4-pyridyl)-1-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]-1-propanone

IUPAC name

n/a

SMILES

O=C(CCc1cc(N2CCOCC2)ncc1)N(CCC1)CCN1c1ncccn1

InChI

InChI=1S/C21H28N6O2/c28-20(26-9-2-10-27(12-11-26)21-23-6-1-7-24-21)4-3-18-5-8-22-19(17-18)25-13-15-29-16-14-25/h1,5-8,17H,2-4,9-16H2

InChI Key

VWBGNHNJQVYGDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.065

Distribution Coefficient, logD

2.028

Water Solubility, LogSw

-2.34

Polar Surface Area

58.185

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

T040-0597 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T040-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0597?
Check Price and Availability of T040-0597, 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 T040-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0597
  • 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 T040-0597 available by request