8017-5160 Screening compound: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(4-bromo-1H-pyrazol-1-yl)benzoate

8017-5160 Screening compound: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(4-bromo-1H-pyrazol-1-yl)benzoate
8017-5160 Screening compound: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(4-bromo-1H-pyrazol-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5160
(6-bromo-1,3-benzodioxol-5-yl)methyl 4-(4-bromo-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

8017-5160

Molecular Formula

C18H12Br2N2O4 (C18 H12 Br2 N2 O4)

Compound Name

(6-bromo-1,3-benzodioxol-5-yl)methyl 4-(4-bromo-1H-pyrazol-1-yl)benzoate

IUPAC name

(6-bromo-2H-13-benzodioxol-5-yl)methyl 4-(4-bromo-1H-pyrazol-1-yl)benzoate

SMILES

O=C(c(cc1)ccc1-n1ncc(Br)c1)OCc(cc1OCOc1c1)c1Br

InChI

InChI=1S/C18H12Br2N2O4/c19-13-7-21-22(8-13)14-3-1-11(2-4-14)18(23)24-9-12-5-16-17(6-15(12)20)26-10-25-16/h1-8H,9-10H2

InChI Key

IVFRZRKYHOTKTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.11

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.991

Distribution Coefficient, logD

4.991

Water Solubility, LogSw

-4.95

Polar Surface Area

52.569

Acid Dissociation Constant (pKa)

29.97

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

References: we are preparing a list of scientific research reports with 8017-5160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5160?
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What is the minimum amount of 8017-5160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5160
  • 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 8017-5160 available by request