T636-2105 Screening compound: [3-(6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YLAMINO)PIPERIDINO](3-PYRIDYL)METHANONE

T636-2105 Screening compound: [3-(6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YLAMINO)PIPERIDINO](3-PYRIDYL)METHANONE
T636-2105 Screening compound: [3-(6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YLAMINO)PIPERIDINO](3-PYRIDYL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T636-2105
[3-(6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YLAMINO)PIPERIDINO](3-PYRIDYL)METHANONE

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

T636-2105

Molecular Formula

C18H21N5O (C18 H21 N5 O)

Compound Name

[3-(6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YLAMINO)PIPERIDINO](3-PYRIDYL)METHANONE

IUPAC name

N-{5H6H7H-cyclopenta[d]pyrimidin-4-yl}-1-(pyridine-3-carbonyl)piperidin-3-amine

SMILES

O=C(c1cnccc1)N(CCC1)CC1Nc1ncnc2c1CCC2

InChI

InChI=1S/C18H21N5O/c24-18(13-4-2-8-19-10-13)23-9-3-5-14(11-23)22-17-15-6-1-7-16(15)20-12-21-17/h2,4,8,10,12,14H,1,3,5-7,9,11H2,(H,20,21,22)/t14-/m0/s1

InChI Key

ZYWYYDSDWVIZJW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27623006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.177

Distribution Coefficient, logD

1.172

Water Solubility, LogSw

-1.18

Polar Surface Area

58.343

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

T636-2105 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T636-2105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T636-2105?
Check Price and Availability of T636-2105, 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 T636-2105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T636-2105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T636-2105
  • 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 T636-2105 available by request