G642-6553 Screening compound: 2-[3-acetyl-5-(4-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate

G642-6553 Screening compound: 2-[3-acetyl-5-(4-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate
G642-6553 Screening compound: 2-[3-acetyl-5-(4-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6553
2-[3-acetyl-5-(4-nitrophenyl)-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

G642-6553

Molecular Formula

C18H15N3O6 (C18 H15 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(N1N=C(c(cc2)ccc2[N+]([O-])=O)OC1c(cccc1)c1OC(C)=O)=O

InChI

InChI=1S/C18H15N3O6/c1-11(22)20-18(15-5-3-4-6-16(15)26-12(2)23)27-17(19-20)13-7-9-14(10-8-13)21(24)25/h3-10,18H,1-2H3/t18-/m1/s1

InChI Key

PCPPYMGAISXUIX-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15025589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.33

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

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.27

Polar Surface Area

89.470

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with G642-6553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6553?
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What is the minimum amount of G642-6553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6553
  • 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 G642-6553 available by request