1762-0118 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide

1762-0118 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
1762-0118 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1762-0118
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]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

1762-0118

Molecular Formula

C18H13BrF3N5O4 (C18 H13 BrF3 N5 O4)

Compound Name

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide

IUPAC name

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide

SMILES

Cc(n(CC(Nc1cc(Oc2cnccc2)cc([N+]([O-])=O)c1)=O)nc1C(F)(F)F)c1Br

InChI

InChI=1S/C18H13BrF3N5O4/c1-10-16(19)17(18(20,21)22)25-26(10)9-15(28)24-11-5-12(27(29)30)7-14(6-11)31-13-3-2-4-23-8-13/h2-8H,9H2,1H3,(H,24,28)

InChI Key

RXBYPWMSAJOBFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00289560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.23

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.667

Water Solubility, LogSw

-3.81

Polar Surface Area

87.510

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 1762-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1762-0118?
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What is the minimum amount of 1762-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1762-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1762-0118
  • 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 1762-0118 available by request