1501-0703 Screening compound: N-{2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethyl}butanamide

1501-0703 Screening compound: N-{2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethyl}butanamide
1501-0703 Screening compound: N-{2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-0703
N-{2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethyl}butanamide

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

1501-0703

Molecular Formula

C17H21Cl3N4O2 (C17 H21 Cl3 N4 O2)

Compound Name

N-{2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethyl}butanamide

IUPAC name

N-{222-trichloro-1-[(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)amino]ethyl}butanamide

SMILES

CCCC(NC(C(Cl)(Cl)Cl)NC(C1=O)=C(C)N(C)N1c1ccccc1)=O

InChI

InChI=1S/C17H21Cl3N4O2/c1-4-8-13(25)21-16(17(18,19)20)22-14-11(2)23(3)24(15(14)26)12-9-6-5-7-10-12/h5-7,9-10,16,22H,4,8H2,1-3H3,(H,21,25)/t16-/m0/s1

InChI Key

INWJCRWBMKWZER-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00548719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.232

Distribution Coefficient, logD

1.584

Water Solubility, LogSw

-3.08

Polar Surface Area

53.889

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

1501-0703 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1501-0703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-0703?
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What is the minimum amount of 1501-0703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-0703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-0703
  • 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 1501-0703 available by request