0375-0592F Screening compound: 4-(5-isopropyl-1H-1,3-benzimidazol-2-yl)aniline

0375-0592F Screening compound: 4-(5-isopropyl-1H-1,3-benzimidazol-2-yl)aniline
0375-0592F Screening compound: 4-(5-isopropyl-1H-1,3-benzimidazol-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0375-0592F
4-(5-isopropyl-1H-1,3-benzimidazol-2-yl)aniline

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

0375-0592F

Molecular Formula

C16H17N3 (C16 H17 N3)

Compound Name

4-(5-isopropyl-1H-1,3-benzimidazol-2-yl)aniline

IUPAC name

4-[5-(propan-2-yl)-1H-13-benzodiazol-2-yl]aniline

SMILES

CC(C)c(cc1)cc2c1[nH]c(-c(cc1)ccc1N)n2

InChI

InChI=1S/C16H17N3/c1-10(2)12-5-8-14-15(9-12)19-16(18-14)11-3-6-13(17)7-4-11/h3-10H,17H2,1-2H3,(H,18,19)

InChI Key

NJSJUUVCEGAWOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00629022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.33

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.729

Distribution Coefficient, logD

3.724

Water Solubility, LogSw

-4.19

Polar Surface Area

40.064

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

0375-0592F in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 0375-0592F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0375-0592F?
Check Price and Availability of 0375-0592F, 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 0375-0592F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0375-0592F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0375-0592F
  • 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 0375-0592F available by request