8013-1706 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-{4-[(2-fluorophenyl)methoxy]phenyl}-2H-1,2,3,4-tetrazol-2-yl)acetamide

8013-1706 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-{4-[(2-fluorophenyl)methoxy]phenyl}-2H-1,2,3,4-tetrazol-2-yl)acetamide
8013-1706 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-{4-[(2-fluorophenyl)methoxy]phenyl}-2H-1,2,3,4-tetrazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1706
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-{4-[(2-fluorophenyl)methoxy]phenyl}-2H-1,2,3,4-tetrazol-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

8013-1706

Molecular Formula

C28H30FN5O4 (C28 H30 FN5 O4)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-{4-[(2-fluorophenyl)methoxy]phenyl}-2H-1,2,3,4-tetrazol-2-yl)acetamide

IUPAC name

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

SMILES

CCOc(ccc(CCNC(Cn1nnc(-c(cc2)ccc2OCc(cccc2)c2F)n1)=O)c1)c1OCC

InChI

InChI=1S/C28H30FN5O4/c1-3-36-25-14-9-20(17-26(25)37-4-2)15-16-30-27(35)18-34-32-28(31-33-34)21-10-12-23(13-11-21)38-19-22-7-5-6-8-24(22)29/h5-14,17H,3-4,15-16,18-19H2,1-2H3,(H,30,35)

InChI Key

UOSPLYVECOOSAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-3.85

Polar Surface Area

84.303

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8013-1706 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8013-1706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1706?
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What is the minimum amount of 8013-1706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1706
  • 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 8013-1706 available by request