8001-5704 Screening compound: 4-[2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamido]-N,N-diethylbenzamide

8001-5704 Screening compound: 4-[2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamido]-N,N-diethylbenzamide
8001-5704 Screening compound: 4-[2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamido]-N,N-diethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-5704
4-[2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamido]-N,N-diethylbenzamide

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

8001-5704

Molecular Formula

C17H15F9N2O3 (C17 H15 F9 N2 O3)

Compound Name

4-[2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamido]-N,N-diethylbenzamide

IUPAC name

4-[22-difluoro-2-(2334455-heptafluorooxolan-2-yl)acetamido]-NN-diethylbenzamide

SMILES

CCN(CC)C(c(cc1)ccc1NC(C(C(C(C1(F)F)(F)F)(OC1(F)F)F)(F)F)=O)=O

InChI

InChI=1S/C17H15F9N2O3/c1-3-28(4-2)11(29)9-5-7-10(8-6-9)27-12(30)13(18,19)16(24)14(20,21)15(22,23)17(25,26)31-16/h5-8H,3-4H2,1-2H3,(H,27,30)/t16-/m1/s1

InChI Key

GWXGLFADEFIKRP-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00473078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.118

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-4.17

Polar Surface Area

46.256

Acid Dissociation Constant (pKa)

7.52

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with 8001-5704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-5704?
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What is the minimum amount of 8001-5704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-5704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-5704
  • 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 8001-5704 available by request