D161-1992 Screening compound: 1-[(4-tert-butylphenyl)methyl]-1H-indazole

D161-1992 Screening compound: 1-[(4-tert-butylphenyl)methyl]-1H-indazole
D161-1992 Screening compound: 1-[(4-tert-butylphenyl)methyl]-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D161-1992
1-[(4-tert-butylphenyl)methyl]-1H-indazole

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

D161-1992

Molecular Formula

C18H20N2 (C18 H20 N2)

Compound Name

1-[(4-tert-butylphenyl)methyl]-1H-indazole

IUPAC name

1-[(4-tert-butylphenyl)methyl]-1H-indazole

SMILES

CC(C)(C)c1ccc(Cn2ncc3c2cccc3)cc1

InChI

InChI=1S/C18H20N2/c1-18(2,3)16-10-8-14(9-11-16)13-20-17-7-5-4-6-15(17)12-19-20/h4-12H,13H2,1-3H3

InChI Key

CTRUMDUJLXHYHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06421561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.37

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.969

Distribution Coefficient, logD

4.969

Water Solubility, LogSw

-5.13

Polar Surface Area

13.670

Acid Dissociation Constant (pKa)

29.05

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D161-1992 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D161-1992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D161-1992?
Check Price and Availability of D161-1992, 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 D161-1992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D161-1992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D161-1992
  • 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 D161-1992 available by request