3268-0195 Screening compound: 2-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzoate

3268-0195 Screening compound: 2-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzoate
3268-0195 Screening compound: 2-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3268-0195
2-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzoate

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

3268-0195

Molecular Formula

C34H27ClN4O4 (C34 H27 ClN4 O4)

Compound Name

2-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzoate

IUPAC name

2-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-chlorobenzoate

SMILES

Cc(c(C(c(c(C)nn1-c2ccccc2)c1O)c(cccc1)c1OC(c(cc1)ccc1Cl)=O)c1O)nn1-c1ccccc1

InChI

InChI=1S/C34H27ClN4O4/c1-21-29(32(40)38(36-21)25-11-5-3-6-12-25)31(30-22(2)37-39(33(30)41)26-13-7-4-8-14-26)27-15-9-10-16-28(27)43-34(42)23-17-19-24(35)20-18-23/h3-20,31,40-41H,1-2H3

InChI Key

UEWOTJYYTWJLFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.730

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-5.84

Polar Surface Area

79.859

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.82

3268-0195 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3268-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3268-0195?
Check Price and Availability of 3268-0195, 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 3268-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3268-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3268-0195
  • 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 3268-0195 available by request