8018-2482 Screening compound: 4-{3'-acetyl-6-bromo-5-methyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]oxadiazol]-5'-yl}phenyl acetate

8018-2482 Screening compound: 4-{3'-acetyl-6-bromo-5-methyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]oxadiazol]-5'-yl}phenyl acetate
8018-2482 Screening compound: 4-{3'-acetyl-6-bromo-5-methyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]oxadiazol]-5'-yl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2482
4-{3'-acetyl-6-bromo-5-methyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]oxadiazol]-5'-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

8018-2482

Molecular Formula

C20H16BrN3O5 (C20 H16 BrN3 O5)

Compound Name

4-{3'-acetyl-6-bromo-5-methyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]oxadiazol]-5'-yl}phenyl acetate

IUPAC name

4-{3'-acetyl-6-bromo-5-methyl-2-oxo-12-dihydro-3'H-spiro[indole-32'-[134]oxadiazol]-5'-yl}phenyl acetate

SMILES

CC(N1N=C(c(cc2)ccc2OC(C)=O)OC1(c(c(N1)c2)cc(C)c2Br)C1=O)=O

InChI

InChI=1S/C20H16BrN3O5/c1-10-8-15-17(9-16(10)21)22-19(27)20(15)24(11(2)25)23-18(29-20)13-4-6-14(7-5-13)28-12(3)26/h4-9H,1-3H3,(H,22,27)/t20-/m0/s1

InChI Key

NBOQWZYJPGVUPD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD07657608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.51

Polar Surface Area

80.739

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8018-2482 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-2482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2482?
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What is the minimum amount of 8018-2482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2482
  • 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 8018-2482 available by request