F076-1123 Screening compound: 1-{5-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one

F076-1123 Screening compound: 1-{5-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one
F076-1123 Screening compound: 1-{5-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F076-1123
1-{5-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one

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

F076-1123

Molecular Formula

C20H21N5O5 (C20 H21 N5 O5)

Compound Name

1-{5-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one

IUPAC name

1-{5-[(1H-123-benzotriazol-1-yl)methyl]-2-(234-trimethoxyphenyl)-23-dihydro-134-oxadiazol-3-yl}ethan-1-one

SMILES

CC(N1N=C(Cn2nnc3c2cccc3)OC1c(ccc(OC)c1OC)c1OC)=O

InChI

InChI=1S/C20H21N5O5/c1-12(26)25-20(13-9-10-16(27-2)19(29-4)18(13)28-3)30-17(22-25)11-24-15-8-6-5-7-14(15)21-23-24/h5-10,20H,11H2,1-4H3/t20-/m0/s1

InChI Key

UQKYAWCMDDQQLC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27099605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.143

Distribution Coefficient, logD

2.143

Water Solubility, LogSw

-2.60

Polar Surface Area

84.159

Acid Dissociation Constant (pKa)

23.03

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

F076-1123 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with F076-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F076-1123?
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What is the minimum amount of F076-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F076-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F076-1123
  • 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 F076-1123 available by request