8017-9282 Screening compound: 4-[3-acetyl-2-methyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate

8017-9282 Screening compound: 4-[3-acetyl-2-methyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate
8017-9282 Screening compound: 4-[3-acetyl-2-methyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9282
4-[3-acetyl-2-methyl-5-(3-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

8017-9282

Molecular Formula

C19H17N3O6 (C19 H17 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

CC1(c(cc2)ccc2OC(C)=O)OC(c2cccc([N+]([O-])=O)c2)=NN1C(C)=O

InChI

InChI=1S/C19H17N3O6/c1-12(23)21-19(3,15-7-9-17(10-8-15)27-13(2)24)28-18(20-21)14-5-4-6-16(11-14)22(25)26/h4-11H,1-3H3/t19-/m0/s1

InChI Key

IKWOCCNFHNGBJY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD06619299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.36

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

2.801

Distribution Coefficient, logD

2.801

Water Solubility, LogSw

-3.38

Polar Surface Area

88.515

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 8017-9282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9282?
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What is the minimum amount of 8017-9282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9282
  • 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 8017-9282 available by request