T636-1860 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine

T636-1860 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine
T636-1860 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T636-1860
1-(2H-1,3-benzodioxole-5-carbonyl)-4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine

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

T636-1860

Molecular Formula

C19H20N4O3 (C19 H20 N4 O3)

Compound Name

1-(2H-1,3-benzodioxole-5-carbonyl)-4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine

IUPAC name

1-(2H-13-benzodioxole-5-carbonyl)-4-{5H6H7H-cyclopenta[d]pyrimidin-4-yl}piperazine

SMILES

O=C(c(cc1)cc2c1OCO2)N(CC1)CCN1c1ncnc2c1CCC2

InChI

InChI=1S/C19H20N4O3/c24-19(13-4-5-16-17(10-13)26-12-25-16)23-8-6-22(7-9-23)18-14-2-1-3-15(14)20-11-21-18/h4-5,10-11H,1-3,6-9,12H2

InChI Key

BWGGFJITJCPBBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.358

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-2.70

Polar Surface Area

58.793

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

T636-1860 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T636-1860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T636-1860?
Check Price and Availability of T636-1860, 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 T636-1860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T636-1860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T636-1860
  • 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 T636-1860 available by request