L090-3589 Screening compound: 3-(azepane-1-carbonyl)-1-(4-fluorophenyl)-6-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

L090-3589 Screening compound: 3-(azepane-1-carbonyl)-1-(4-fluorophenyl)-6-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
L090-3589 Screening compound: 3-(azepane-1-carbonyl)-1-(4-fluorophenyl)-6-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L090-3589
3-(azepane-1-carbonyl)-1-(4-fluorophenyl)-6-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

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

L090-3589

Molecular Formula

C19H20FN5O2 (C19 H20 FN5 O2)

Compound Name

3-(azepane-1-carbonyl)-1-(4-fluorophenyl)-6-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

IUPAC name

3-(azepane-1-carbonyl)-1-(4-fluorophenyl)-6-methyl-1H6H7H-pyrazolo[43-d]pyrimidin-7-one

SMILES

CN(C=Nc1c2n(-c(cc3)ccc3F)nc1C(N1CCCCCC1)=O)C2=O

InChI

InChI=1S/C19H20FN5O2/c1-23-12-21-15-16(18(26)24-10-4-2-3-5-11-24)22-25(17(15)19(23)27)14-8-6-13(20)7-9-14/h6-9,12H,2-5,10-11H2,1H3

InChI Key

IPZZCIIMJUKZNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27231965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.4

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

1.631

Distribution Coefficient, logD

1.631

Water Solubility, LogSw

-1.88

Polar Surface Area

55.305

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

L090-3589 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L090-3589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L090-3589?
Check Price and Availability of L090-3589, 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 L090-3589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L090-3589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L090-3589
  • 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 L090-3589 available by request