8017-9228 Screening compound: N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamide

8017-9228 Screening compound: N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamide
8017-9228 Screening compound: N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9228
N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamide

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

8017-9228

Molecular Formula

C15H16ClN5O (C15 H16 ClN5 O)

Compound Name

N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamide

IUPAC name

N-[(1H-13-benzodiazol-2-yl)methyl]-2-(4-chloro-35-dimethyl-1H-pyrazol-1-yl)acetamide

SMILES

Cc(n(CC(NCc1nc(cccc2)c2[nH]1)=O)nc1C)c1Cl

InChI

InChI=1S/C15H16ClN5O/c1-9-15(16)10(2)21(20-9)8-14(22)17-7-13-18-11-5-3-4-6-12(11)19-13/h3-6H,7-8H2,1-2H3,(H,17,22)(H,18,19)

InChI Key

UKRCRXXQXVXVQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.950

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-3.12

Polar Surface Area

59.273

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

8017-9228 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 8017-9228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9228?
Check Price and Availability of 8017-9228, 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 8017-9228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9228
  • 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 8017-9228 available by request