ZC98-0018 Screening compound: 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzofuran-2-yl)benzamide

ZC98-0018 Screening compound: 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzofuran-2-yl)benzamide
ZC98-0018 Screening compound: 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzofuran-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound ZC98-0018
4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzofuran-2-yl)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

ZC98-0018

Molecular Formula

C16H13ClN2O2 (C16 H13 ClN2 O2)

Compound Name

4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzofuran-2-yl)benzamide

IUPAC name

4-chloro-N-(3-cyano-4567-tetrahydro-1-benzofuran-2-yl)benzamide

SMILES

N#Cc1c(NC(c(cc2)ccc2Cl)=O)oc2c1CCCC2

InChI

InChI=1S/C16H13ClN2O2/c17-11-7-5-10(6-8-11)15(20)19-16-13(9-18)12-3-1-2-4-14(12)21-16/h5-8H,1-4H2,(H,19,20)

InChI Key

JQXSRHWUDIDICY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32262806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

-1.085

Water Solubility, LogSw

-4.34

Polar Surface Area

49.160

Acid Dissociation Constant (pKa)

2.95

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

ZC98-0018 in Drug Discovery

Included in Screening Libraries

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

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with ZC98-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound ZC98-0018?
Check Price and Availability of ZC98-0018, 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 ZC98-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for ZC98-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for ZC98-0018
  • 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 ZC98-0018 available by request