C797-0612 Screening compound: 1-(3-chloro-4-methylphenyl)-3-(3-methoxypropyl)-3-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}urea

C797-0612 Screening compound: 1-(3-chloro-4-methylphenyl)-3-(3-methoxypropyl)-3-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}urea
C797-0612 Screening compound: 1-(3-chloro-4-methylphenyl)-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 C797-0612
1-(3-chloro-4-methylphenyl)-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

C797-0612

Molecular Formula

C26H27ClN4O2S (C26 H27 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(N(CCCOC)Cc1cn(-c2ccccc2)nc1-c1cccs1)=O)c1)c1Cl

InChI

InChI=1S/C26H27ClN4O2S/c1-19-11-12-21(16-23(19)27)28-26(32)30(13-7-14-33-2)17-20-18-31(22-8-4-3-5-9-22)29-25(20)24-10-6-15-34-24/h3-6,8-12,15-16,18H,7,13-14,17H2,1-2H3,(H,28,32)

InChI Key

YGHPRMMYVNMSCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.04

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

6.412

Distribution Coefficient, logD

6.412

Water Solubility, LogSw

-6.10

Polar Surface Area

49.242

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C797-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0612?
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What is the minimum amount of C797-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0612
  • 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 C797-0612 available by request