8017-6266 Screening compound: N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]-4-(trifluoromethyl)benzamide

8017-6266 Screening compound: N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]-4-(trifluoromethyl)benzamide
8017-6266 Screening compound: N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6266
N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]-4-(trifluoromethyl)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

8017-6266

Molecular Formula

C24H19F3N2O5S (C24 H19 F3 N2 O5 S)

Compound Name

N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]-4-(trifluoromethyl)benzamide

IUPAC name

N-[12-(morpholine-4-sulfonyl)-8-oxatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-5-yl]-4-(trifluoromethyl)benzamide

SMILES

O=C(c1ccc(C(F)(F)F)cc1)Nc(cc1)cc2c1c(cc(cc1)S(N3CCOCC3)(=O)=O)c1o2

InChI

InChI=1S/C24H19F3N2O5S/c25-24(26,27)16-3-1-15(2-4-16)23(30)28-17-5-7-19-20-14-18(6-8-21(20)34-22(19)13-17)35(31,32)29-9-11-33-12-10-29/h1-8,13-14H,9-12H2,(H,28,30)

InChI Key

IMAUCHJOABYRRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06616993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.158

Distribution Coefficient, logD

5.158

Water Solubility, LogSw

-5.55

Polar Surface Area

70.864

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.83

8017-6266 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-6266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6266?
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What is the minimum amount of 8017-6266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6266
  • 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 8017-6266 available by request