8018-9572 Screening compound: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-isopropylphenyl)-2H-1,2,3,4-tetraazole

8018-9572 Screening compound: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-isopropylphenyl)-2H-1,2,3,4-tetraazole
8018-9572 Screening compound: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-isopropylphenyl)-2H-1,2,3,4-tetraazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9572
2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-isopropylphenyl)-2H-1,2,3,4-tetraazole

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

8018-9572

Molecular Formula

C18H17BrN4O2 (C18 H17 BrN4 O2)

Compound Name

2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-isopropylphenyl)-2H-1,2,3,4-tetraazole

IUPAC name

2-[(6-bromo-2H-13-benzodioxol-5-yl)methyl]-5-[4-(propan-2-yl)phenyl]-2H-1234-tetrazole

SMILES

CC(C)c(cc1)ccc1-c1nn(Cc(cc2OCOc2c2)c2Br)nn1

InChI

InChI=1S/C18H17BrN4O2/c1-11(2)12-3-5-13(6-4-12)18-20-22-23(21-18)9-14-7-16-17(8-15(14)19)25-10-24-16/h3-8,11H,9-10H2,1-2H3

InChI Key

UXTDKEUHZXHQLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.181

Distribution Coefficient, logD

5.181

Water Solubility, LogSw

-5.20

Polar Surface Area

55.457

Acid Dissociation Constant (pKa)

23.22

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

References: we are preparing a list of scientific research reports with 8018-9572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9572?
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What is the minimum amount of 8018-9572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9572
  • 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 8018-9572 available by request