8017-4582 Screening compound: N~1~-(3,4-diethoxyphenethyl)-2-{5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}acetamide

8017-4582 Screening compound: N~1~-(3,4-diethoxyphenethyl)-2-{5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}acetamide
8017-4582 Screening compound: N~1~-(3,4-diethoxyphenethyl)-2-{5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4582
N~1~-(3,4-diethoxyphenethyl)-2-{5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazol-2-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

8017-4582

Molecular Formula

C22H24F3N5O3 (C22 H24 F3 N5 O3)

Compound Name

N~1~-(3,4-diethoxyphenethyl)-2-{5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}acetamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-{5-[4-(trifluoromethyl)phenyl]-2H-1234-tetrazol-2-yl}acetamide

SMILES

CCOc(ccc(CCNC(Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1)=O)c1)c1OCC

InChI

InChI=1S/C22H24F3N5O3/c1-3-32-18-10-5-15(13-19(18)33-4-2)11-12-26-20(31)14-30-28-21(27-29-30)16-6-8-17(9-7-16)22(23,24)25/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,26,31)

InChI Key

FMIUSLHUVMYUDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.032

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-3.31

Polar Surface Area

77.075

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with 8017-4582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4582?
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What is the minimum amount of 8017-4582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4582
  • 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 8017-4582 available by request