G642-7781 Screening compound: 2-{4-acetyl-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-bromophenyl acetate

G642-7781 Screening compound: 2-{4-acetyl-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-bromophenyl acetate
G642-7781 Screening compound: 2-{4-acetyl-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-bromophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-7781
2-{4-acetyl-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-bromophenyl 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

G642-7781

Molecular Formula

C18H19BrN4O4 (C18 H19 BrN4 O4)

Compound Name

2-{4-acetyl-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-bromophenyl acetate

IUPAC name

2-{4-acetyl-5-[(35-dimethyl-1H-pyrazol-1-yl)methyl]-45-dihydro-134-oxadiazol-2-yl}-4-bromophenyl acetate

SMILES

CC(N1N=C(c(cc(cc2)Br)c2OC(C)=O)OC1Cn1nc(C)cc1C)=O

InChI

InChI=1S/C18H19BrN4O4/c1-10-7-11(2)22(20-10)9-17-23(12(3)24)21-18(27-17)15-8-14(19)5-6-16(15)26-13(4)25/h5-8,17H,9H2,1-4H3/t17-/m1/s1

InChI Key

RKNSQXHVLVKJIP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD15025753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.073

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-2.87

Polar Surface Area

70.291

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G642-7781 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G642-7781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-7781?
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What is the minimum amount of G642-7781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-7781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-7781
  • 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 G642-7781 available by request