8014-8976 Screening compound: 2-{[1-(2-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

8014-8976 Screening compound: 2-{[1-(2-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
8014-8976 Screening compound: 2-{[1-(2-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8976
2-{[1-(2-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-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

8014-8976

Molecular Formula

C17H14ClN5O3S (C17 H14 ClN5 O3 S)

Compound Name

2-{[1-(2-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-{[1-(2-chlorophenyl)-1H-1234-tetrazol-5-yl]sulfanyl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

O=C(CSc1nnnn1-c(cccc1)c1Cl)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C17H14ClN5O3S/c18-12-3-1-2-4-13(12)23-17(20-21-22-23)27-10-16(24)19-11-5-6-14-15(9-11)26-8-7-25-14/h1-6,9H,7-8,10H2,(H,19,24)

InChI Key

ZZPQJNOQWWXZFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.284

Distribution Coefficient, logD

2.284

Water Solubility, LogSw

-3.23

Polar Surface Area

78.560

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8014-8976 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-8976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8976?
Check Price and Availability of 8014-8976, 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 8014-8976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8976
  • 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 8014-8976 available by request