E984-0216 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}propanamide

E984-0216 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}propanamide
E984-0216 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E984-0216
N-[(5-bromo-2-methoxyphenyl)methyl]-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}propanamide

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

E984-0216

Molecular Formula

C18H21BrN4O3 (C18 H21 BrN4 O3)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}propanamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-2-{2-methyl-5-oxo-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl}propanamide

SMILES

CC(C(NCc(cc(cc1)Br)c1OC)=O)N(c1cc(C)nn1CC1)C1=O

InChI

InChI=1S/C18H21BrN4O3/c1-11-8-16-22(21-11)7-6-17(24)23(16)12(2)18(25)20-10-13-9-14(19)4-5-15(13)26-3/h4-5,8-9,12H,6-7,10H2,1-3H3,(H,20,25)/t12-/m0/s1

InChI Key

NNIRTFVJGRPWJF-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14935783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.469

Distribution Coefficient, logD

1.469

Water Solubility, LogSw

-2.04

Polar Surface Area

59.755

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

E984-0216 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E984-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E984-0216?
Check Price and Availability of E984-0216, 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 E984-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E984-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E984-0216
  • 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 E984-0216 available by request