F076-1124 Screening compound: 4-{3-acetyl-5-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2,6-dimethoxyphenyl acetate

F076-1124 Screening compound: 4-{3-acetyl-5-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2,6-dimethoxyphenyl acetate
F076-1124 Screening compound: 4-{3-acetyl-5-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2,6-dimethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F076-1124
4-{3-acetyl-5-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2,6-dimethoxyphenyl acetate

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

F076-1124

Molecular Formula

C21H21N5O6 (C21 H21 N5 O6)

Compound Name

4-{3-acetyl-5-[(1H-1,2,3-benzotriazol-1-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2,6-dimethoxyphenyl acetate

IUPAC name

4-{3-acetyl-5-[(1H-123-benzotriazol-1-yl)methyl]-23-dihydro-134-oxadiazol-2-yl}-26-dimethoxyphenyl acetate

SMILES

CC(N1N=C(Cn2nnc3c2cccc3)OC1c(cc1OC)cc(OC)c1OC(C)=O)=O

InChI

InChI=1S/C21H21N5O6/c1-12(27)26-21(14-9-17(29-3)20(31-13(2)28)18(10-14)30-4)32-19(23-26)11-25-16-8-6-5-7-15(16)22-24-25/h5-10,21H,11H2,1-4H3/t21-/m0/s1

InChI Key

SVBIPKAZARJMQK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27099606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.669

Distribution Coefficient, logD

1.669

Water Solubility, LogSw

-2.26

Polar Surface Area

97.280

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

F076-1124 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 F076-1124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F076-1124?
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What is the minimum amount of F076-1124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F076-1124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F076-1124
  • 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 F076-1124 available by request