F076-1062 Screening compound: 1-{5-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one

F076-1062 Screening compound: 1-{5-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one
F076-1062 Screening compound: 1-{5-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F076-1062
1-{5-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-2-(3,4,5-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

F076-1062

Molecular Formula

C21H22N4O5S (C21 H22 N4 O5 S)

Compound Name

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

IUPAC name

1-{5-[(1H-13-benzodiazol-2-ylsulfanyl)methyl]-2-(345-trimethoxyphenyl)-23-dihydro-134-oxadiazol-3-yl}ethan-1-one

SMILES

CC(N1N=C(CSc2nc(cccc3)c3[nH]2)OC1c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C21H22N4O5S/c1-12(26)25-20(13-9-16(27-2)19(29-4)17(10-13)28-3)30-18(24-25)11-31-21-22-14-7-5-6-8-15(14)23-21/h5-10,20H,11H2,1-4H3,(H,22,23)/t20-/m1/s1

InChI Key

REUPMEMZSSGMFF-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27099596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.945

Distribution Coefficient, logD

2.379

Water Solubility, LogSw

-3.24

Polar Surface Area

76.388

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

F076-1062 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 F076-1062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F076-1062?
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What is the minimum amount of F076-1062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F076-1062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F076-1062
  • 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 F076-1062 available by request