G642-2091 Screening compound: 4-[3-acetyl-5-(3-bromophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-methoxyphenyl acetate

G642-2091 Screening compound: 4-[3-acetyl-5-(3-bromophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-methoxyphenyl acetate
G642-2091 Screening compound: 4-[3-acetyl-5-(3-bromophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-2091
4-[3-acetyl-5-(3-bromophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-methoxyphenyl 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

G642-2091

Molecular Formula

C19H17BrN2O5 (C19 H17 BrN2 O5)

Compound Name

4-[3-acetyl-5-(3-bromophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-2-methoxyphenyl acetate

IUPAC name

4-[3-acetyl-5-(3-bromophenyl)-23-dihydro-134-oxadiazol-2-yl]-2-methoxyphenyl acetate

SMILES

CC(N1N=C(c2cccc(Br)c2)OC1c(cc1)cc(OC)c1OC(C)=O)=O

InChI

InChI=1S/C19H17BrN2O5/c1-11(23)22-19(27-18(21-22)13-5-4-6-15(20)9-13)14-7-8-16(26-12(2)24)17(10-14)25-3/h4-10,19H,1-3H3/t19-/m1/s1

InChI Key

PRIKCCINLKQHAM-LJQANCHMSA-N

MDL Number (MFCD)

MFCD15025376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-4.06

Polar Surface Area

63.719

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

G642-2091 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G642-2091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-2091?
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What is the minimum amount of G642-2091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-2091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-2091
  • 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 G642-2091 available by request