L150-0415 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide

L150-0415 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide
L150-0415 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L150-0415
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-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

L150-0415

Molecular Formula

C23H18FN5O3S (C23 H18 FN5 O3 S)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1234-tetrazol-1-yl)benzamide

SMILES

O=C(c(cc1)ccc1-n1nnnc1SCc(cc1)ccc1F)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C23H18FN5O3S/c24-17-5-1-15(2-6-17)14-33-23-26-27-28-29(23)19-8-3-16(4-9-19)22(30)25-18-7-10-20-21(13-18)32-12-11-31-20/h1-10,13H,11-12,14H2,(H,25,30)

InChI Key

RXHAZSITNHLCKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.052

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.42

Polar Surface Area

78.803

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L150-0415 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L150-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L150-0415?
Check Price and Availability of L150-0415, 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 L150-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L150-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L150-0415
  • 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 L150-0415 available by request