G642-2083 Screening compound: 2-[4-acetyl-5-(4-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-bromophenyl acetate

G642-2083 Screening compound: 2-[4-acetyl-5-(4-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-bromophenyl acetate
G642-2083 Screening compound: 2-[4-acetyl-5-(4-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-bromophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-2083
2-[4-acetyl-5-(4-nitrophenyl)-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

G642-2083

Molecular Formula

C18H14BrN3O6 (C18 H14 BrN3 O6)

Compound Name

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

IUPAC name

2-[4-acetyl-5-(4-nitrophenyl)-45-dihydro-134-oxadiazol-2-yl]-4-bromophenyl acetate

SMILES

CC(N1N=C(c(cc(cc2)Br)c2OC(C)=O)OC1c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C18H14BrN3O6/c1-10(23)21-18(12-3-6-14(7-4-12)22(25)26)28-17(20-21)15-9-13(19)5-8-16(15)27-11(2)24/h3-9,18H,1-2H3/t18-/m1/s1

InChI Key

YQCYFHVTEUPEHW-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15025372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.23

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.94

Polar Surface Area

89.470

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with G642-2083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-2083?
Check Price and Availability of G642-2083, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G642-2083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-2083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-2083
  • 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 G642-2083 available by request