C797-0627 Screening compound: 1-(3,5-dimethylphenyl)-3-(3-methoxypropyl)-3-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}urea

C797-0627 Screening compound: 1-(3,5-dimethylphenyl)-3-(3-methoxypropyl)-3-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}urea
C797-0627 Screening compound: 1-(3,5-dimethylphenyl)-3-(3-methoxypropyl)-3-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0627
1-(3,5-dimethylphenyl)-3-(3-methoxypropyl)-3-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}urea

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

C797-0627

Molecular Formula

C27H30N4O2S (C27 H30 N4 O2 S)

Compound Name

1-(3,5-dimethylphenyl)-3-(3-methoxypropyl)-3-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}urea

IUPAC name

1-(35-dimethylphenyl)-3-(3-methoxypropyl)-3-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}urea

SMILES

Cc1cc(NC(N(CCCOC)Cc2cn(-c3ccccc3)nc2-c2cccs2)=O)cc(C)c1

InChI

InChI=1S/C27H30N4O2S/c1-20-15-21(2)17-23(16-20)28-27(32)30(12-8-13-33-3)18-22-19-31(24-9-5-4-6-10-24)29-26(22)25-11-7-14-34-25/h4-7,9-11,14-17,19H,8,12-13,18H2,1-3H3,(H,28,32)

InChI Key

APZMRGSQMOEAKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.715

Distribution Coefficient, logD

5.715

Water Solubility, LogSw

-5.23

Polar Surface Area

49.242

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C797-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0627?
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What is the minimum amount of C797-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0627
  • 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 C797-0627 available by request