8017-7755 Screening compound: N~1~-{4-[chloro(difluoro)methoxy]phenyl}-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide

8017-7755 Screening compound: N~1~-{4-[chloro(difluoro)methoxy]phenyl}-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
8017-7755 Screening compound: N~1~-{4-[chloro(difluoro)methoxy]phenyl}-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7755
N~1~-{4-[chloro(difluoro)methoxy]phenyl}-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-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

8017-7755

Molecular Formula

C14H13ClF2N4O4 (C14 H13 ClF2 N4 O4)

Compound Name

N~1~-{4-[chloro(difluoro)methoxy]phenyl}-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide

IUPAC name

N-[4-(chlorodifluoromethoxy)phenyl]-2-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide

SMILES

Cc(n(CC(Nc(cc1)ccc1OC(F)(F)Cl)=O)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C14H13ClF2N4O4/c1-8-13(21(23)24)9(2)20(19-8)7-12(22)18-10-3-5-11(6-4-10)25-14(15,16)17/h3-6H,7H2,1-2H3,(H,18,22)

InChI Key

SXIRPJPAWPBQPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.687

Distribution Coefficient, logD

2.687

Water Solubility, LogSw

-3.64

Polar Surface Area

76.947

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with 8017-7755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7755?
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What is the minimum amount of 8017-7755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7755
  • 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 8017-7755 available by request