E016-0572 Screening compound: N-[(2-fluorophenyl)methyl]-2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

E016-0572 Screening compound: N-[(2-fluorophenyl)methyl]-2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
E016-0572 Screening compound: N-[(2-fluorophenyl)methyl]-2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E016-0572
N-[(2-fluorophenyl)methyl]-2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-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

E016-0572

Molecular Formula

C18H14FN5O2S (C18 H14 FN5 O2 S)

Compound Name

N-[(2-fluorophenyl)methyl]-2-[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

IUPAC name

N-[(2-fluorophenyl)methyl]-2-[4-oxo-2-(thiophen-2-yl)-4H5H-pyrazolo[15-d][124]triazin-5-yl]acetamide

SMILES

O=C(CN(C(c1c2)=O)N=Cn1nc2-c1cccs1)NCc(cccc1)c1F

InChI

InChI=1S/C18H14FN5O2S/c19-13-5-2-1-4-12(13)9-20-17(25)10-23-18(26)15-8-14(16-6-3-7-27-16)22-24(15)11-21-23/h1-8,11H,9-10H2,(H,20,25)

InChI Key

BTGYCIOXPZAKQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.41

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

2.128

Distribution Coefficient, logD

2.128

Water Solubility, LogSw

-2.85

Polar Surface Area

67.635

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with E016-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E016-0572?
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What is the minimum amount of E016-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E016-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E016-0572
  • 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 E016-0572 available by request