8018-3975 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(1,2,2,3,3,3-hexafluoropropoxy)benzamide

8018-3975 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(1,2,2,3,3,3-hexafluoropropoxy)benzamide
8018-3975 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(1,2,2,3,3,3-hexafluoropropoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3975
N-(2H-1,3-benzodioxol-5-yl)-4-(1,2,2,3,3,3-hexafluoropropoxy)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

8018-3975

Molecular Formula

C17H11F6NO4 (C17 H11 F6 NO4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-4-(1,2,2,3,3,3-hexafluoropropoxy)benzamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-(122333-hexafluoropropoxy)benzamide

SMILES

O=C(c(cc1)ccc1OC(C(C(F)(F)F)(F)F)F)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H11F6NO4/c18-15(16(19,20)17(21,22)23)28-11-4-1-9(2-5-11)14(25)24-10-3-6-12-13(7-10)27-8-26-12/h1-7,15H,8H2,(H,24,25)/t15-/m1/s1

InChI Key

KQTFBFXOTWQVAN-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD07658481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

4.307

Water Solubility, LogSw

-4.46

Polar Surface Area

47.135

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

8018-3975 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-3975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3975?
Check Price and Availability of 8018-3975, 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 8018-3975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3975
  • 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 8018-3975 available by request