8017-1093 Screening compound: 2,4-dichlorobenzyl 4-(1H-pyrazol-1-yl)benzoate

8017-1093 Screening compound: 2,4-dichlorobenzyl 4-(1H-pyrazol-1-yl)benzoate
8017-1093 Screening compound: 2,4-dichlorobenzyl 4-(1H-pyrazol-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1093
2,4-dichlorobenzyl 4-(1H-pyrazol-1-yl)benzoate

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

8017-1093

Molecular Formula

C17H12Cl2N2O2 (C17 H12 Cl2 N2 O2)

Compound Name

2,4-dichlorobenzyl 4-(1H-pyrazol-1-yl)benzoate

IUPAC name

(24-dichlorophenyl)methyl 4-(1H-pyrazol-1-yl)benzoate

SMILES

O=C(c(cc1)ccc1-n1nccc1)OCc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C17H12Cl2N2O2/c18-14-5-2-13(16(19)10-14)11-23-17(22)12-3-6-15(7-4-12)21-9-1-8-20-21/h1-10H,11H2

InChI Key

UOVOZNOGASZDPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.056

Distribution Coefficient, logD

5.056

Water Solubility, LogSw

-5.39

Polar Surface Area

35.471

Acid Dissociation Constant (pKa)

29.50

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

References: we are preparing a list of scientific research reports with 8017-1093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1093?
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What is the minimum amount of 8017-1093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1093
  • 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 8017-1093 available by request