8010-0130 Screening compound: 4-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide

8010-0130 Screening compound: 4-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
8010-0130 Screening compound: 4-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0130
4-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide

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

8010-0130

Molecular Formula

C13H14ClN3O (C13 H14 ClN3 O)

Compound Name

4-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide

IUPAC name

4-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide

SMILES

O=C(c(cc1)ccc1Cl)NCCCn1cncc1

InChI

InChI=1S/C13H14ClN3O/c14-12-4-2-11(3-5-12)13(18)16-6-1-8-17-9-7-15-10-17/h2-5,7,9-10H,1,6,8H2,(H,16,18)

InChI Key

XUNSSOOHHSMODL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01852079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.73

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.529

Distribution Coefficient, logD

1.287

Water Solubility, LogSw

-2.61

Polar Surface Area

37.294

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8010-0130 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8010-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0130?
Check Price and Availability of 8010-0130, 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 8010-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0130
  • 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 8010-0130 available by request