G642-1780 Screening compound: 2-[3-acetyl-5-(3-bromophenyl)-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate

G642-1780 Screening compound: 2-[3-acetyl-5-(3-bromophenyl)-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate
G642-1780 Screening compound: 2-[3-acetyl-5-(3-bromophenyl)-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-1780
2-[3-acetyl-5-(3-bromophenyl)-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl 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

G642-1780

Molecular Formula

C19H17BrN2O4 (C19 H17 BrN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CC1(c(cccc2)c2OC(C)=O)OC(c2cccc(Br)c2)=NN1C(C)=O

InChI

InChI=1S/C19H17BrN2O4/c1-12(23)22-19(3,16-9-4-5-10-17(16)25-13(2)24)26-18(21-22)14-7-6-8-15(20)11-14/h4-11H,1-3H3/t19-/m0/s1

InChI Key

FYJFLMKEZIVJGV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15025281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-4.05

Polar Surface Area

55.220

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

G642-1780 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G642-1780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-1780?
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What is the minimum amount of G642-1780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-1780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-1780
  • 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 G642-1780 available by request