0618-0029 Screening compound: N-[4-chloro-3-({4-[(1E)-2-(naphthalen-1-yl)diazen-1-yl]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}amino)phenyl]-4-(octadecyloxy)benzamide

0618-0029 Screening compound: N-[4-chloro-3-({4-[(1E)-2-(naphthalen-1-yl)diazen-1-yl]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}amino)phenyl]-4-(octadecyloxy)benzamide
0618-0029 Screening compound: N-[4-chloro-3-({4-[(1E)-2-(naphthalen-1-yl)diazen-1-yl]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}amino)phenyl]-4-(octadecyloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0618-0029
N-[4-chloro-3-({4-[(1E)-2-(naphthalen-1-yl)diazen-1-yl]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}amino)phenyl]-4-(octadecyloxy)benzamide

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

0618-0029

Molecular Formula

C50H56Cl4N6O3 (C50 H56 Cl4 N6 O3)

Compound Name

N-[4-chloro-3-({4-[(1E)-2-(naphthalen-1-yl)diazen-1-yl]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}amino)phenyl]-4-(octadecyloxy)benzamide

IUPAC name

N-[4-chloro-3-({4-[(1E)-2-(naphthalen-1-yl)diazen-1-yl]-5-oxo-1-(246-trichlorophenyl)-45-dihydro-1H-pyrazol-3-yl}amino)phenyl]-4-(octadecyloxy)benzamide

SMILES

CCCCCCCCCCCCCCCCCCOc(cc1)ccc1C(Nc(cc1)cc(NC(C(C2=O)/N=N/c3cccc4ccccc34)=NN2c(c(Cl)cc(Cl)c2)c2Cl)c1Cl)=O

InChI

InChI=1S/C50H56Cl4N6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-31-63-39-28-25-36(26-29-39)49(61)55-38-27-30-41(52)45(34-38)56-48-46(58-57-44-24-20-22-35-21-17-18-23-40(35)44)50(62)60(59-48)47-42(53)32-37(51)33-43(47)54/h17-18,20-30,32-34,46H,2-16,19,31H2,1H3,(H,55,61)(H,56,59)/b58-57+/t46-/m1/s1

InChI Key

FAENEDXWPDJVOI-VHGDDTTLSA-N

MDL Number (MFCD)

MFCD01838291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

930.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

26.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

17.431

Distribution Coefficient, logD

10.815

Water Solubility, LogSw

-6.64

Polar Surface Area

88.732

Acid Dissociation Constant (pKa)

4.39

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.00

0618-0029 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0618-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 0618-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0618-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0618-0029
  • 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 0618-0029 available by request