8005-5576 Screening compound: N,N'-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)dodecanediamide

8005-5576 Screening compound: N,N'-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)dodecanediamide
8005-5576 Screening compound: N,N'-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)dodecanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5576
N,N'-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)dodecanediamide

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

8005-5576

Molecular Formula

C34H44N6O4 (C34 H44 N6 O4)

Compound Name

N,N'-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)dodecanediamide

IUPAC name

NN'-bis(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)dodecanediamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(CCCCCCCCCCC(NC(C1=O)=C(C)N(C)N1c1ccccc1)=O)=O

InChI

InChI=1S/C34H44N6O4/c1-25-31(33(43)39(37(25)3)27-19-13-11-14-20-27)35-29(41)23-17-9-7-5-6-8-10-18-24-30(42)36-32-26(2)38(4)40(34(32)44)28-21-15-12-16-22-28/h11-16,19-22H,5-10,17-18,23-24H2,1-4H3,(H,35,41)(H,36,42)

InChI Key

NIIAYWOKKWRELY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00312383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

600.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.733

Distribution Coefficient, logD

2.668

Water Solubility, LogSw

-3.12

Polar Surface Area

87.028

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

8005-5576 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8005-5576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5576?
Check Price and Availability of 8005-5576, 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 8005-5576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5576
  • 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 8005-5576 available by request