E984-3738 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-[2-(4-chlorophenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide

E984-3738 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-[2-(4-chlorophenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide
E984-3738 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-[2-(4-chlorophenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E984-3738
N-[2-(azepan-1-yl)ethyl]-2-[2-(4-chlorophenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide

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

E984-3738

Molecular Formula

C22H28ClN5O2 (C22 H28 ClN5 O2)

Compound Name

N-[2-(azepan-1-yl)ethyl]-2-[2-(4-chlorophenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]acetamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-2-[2-(4-chlorophenyl)-5-oxo-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]acetamide

SMILES

O=C(CN(c1cc(-c(cc2)ccc2Cl)nn1CC1)C1=O)NCCN1CCCCCC1

InChI

InChI=1S/C22H28ClN5O2/c23-18-7-5-17(6-8-18)19-15-21-27(22(30)9-13-28(21)25-19)16-20(29)24-10-14-26-11-3-1-2-4-12-26/h5-8,15H,1-4,9-14,16H2,(H,24,29)

InChI Key

CJZODHNSIIMOMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

1.532

Water Solubility, LogSw

-3.72

Polar Surface Area

56.647

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E984-3738 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E984-3738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E984-3738?
Check Price and Availability of E984-3738, 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 E984-3738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E984-3738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E984-3738
  • 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 E984-3738 available by request