3268-0013 Screening compound: 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-tert-butylbenzoate

3268-0013 Screening compound: 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-tert-butylbenzoate
3268-0013 Screening compound: 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-tert-butylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3268-0013
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-tert-butylbenzoate

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

3268-0013

Molecular Formula

C38H36N4O4 (C38 H36 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(Oc1ccc(C(c(c(C)nn2-c3ccccc3)c2O)c(c(C)nn2-c3ccccc3)c2O)cc1)=O

InChI

InChI=1S/C38H36N4O4/c1-24-32(35(43)41(39-24)29-12-8-6-9-13-29)34(33-25(2)40-42(36(33)44)30-14-10-7-11-15-30)26-18-22-31(23-19-26)46-37(45)27-16-20-28(21-17-27)38(3,4)5/h6-23,34,43-44H,1-5H3

InChI Key

JTFJEQHGRYLERN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.966

Distribution Coefficient, logD

6.377

Water Solubility, LogSw

-5.93

Polar Surface Area

79.773

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.40

References: we are preparing a list of scientific research reports with 3268-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3268-0013?
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What is the minimum amount of 3268-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3268-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3268-0013
  • 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 3268-0013 available by request