T636-1601 Screening compound: N-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-1-(3-fluorobenzoyl)piperidin-4-amine

T636-1601 Screening compound: N-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-1-(3-fluorobenzoyl)piperidin-4-amine
T636-1601 Screening compound: N-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-1-(3-fluorobenzoyl)piperidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound T636-1601
N-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-1-(3-fluorobenzoyl)piperidin-4-amine

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

T636-1601

Molecular Formula

C19H21FN4O (C19 H21 FN4 O)

Compound Name

N-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-1-(3-fluorobenzoyl)piperidin-4-amine

IUPAC name

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

SMILES

O=C(c1cccc(F)c1)N(CC1)CCC1Nc1ncnc2c1CCC2

InChI

InChI=1S/C19H21FN4O/c20-14-4-1-3-13(11-14)19(25)24-9-7-15(8-10-24)23-18-16-5-2-6-17(16)21-12-22-18/h1,3-4,11-12,15H,2,5-10H2,(H,21,22,23)

InChI Key

NNSGQXMVYCMXLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.450

Distribution Coefficient, logD

2.445

Water Solubility, LogSw

-2.80

Polar Surface Area

48.892

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

T636-1601 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T636-1601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T636-1601?
Check Price and Availability of T636-1601, 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 T636-1601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T636-1601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T636-1601
  • 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 T636-1601 available by request