8018-1942 Screening compound: 9a-ethoxy-7-methyl-3-(3-nitrophenyl)-9H,9aH-[1,2,4]oxadiazolo[4,5-a]indol-9-one

8018-1942 Screening compound: 9a-ethoxy-7-methyl-3-(3-nitrophenyl)-9H,9aH-[1,2,4]oxadiazolo[4,5-a]indol-9-one
8018-1942 Screening compound: 9a-ethoxy-7-methyl-3-(3-nitrophenyl)-9H,9aH-[1,2,4]oxadiazolo[4,5-a]indol-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1942
9a-ethoxy-7-methyl-3-(3-nitrophenyl)-9H,9aH-[1,2,4]oxadiazolo[4,5-a]indol-9-one

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

8018-1942

Molecular Formula

C18H15N3O5 (C18 H15 N3 O5)

Compound Name

9a-ethoxy-7-methyl-3-(3-nitrophenyl)-9H,9aH-[1,2,4]oxadiazolo[4,5-a]indol-9-one

IUPAC name

9a-ethoxy-7-methyl-3-(3-nitrophenyl)-9H9aH-[124]oxadiazolo[45-a]indol-9-one

SMILES

CCOC12ON=C(c3cccc([N+]([O-])=O)c3)N1c(ccc(C)c1)c1C2=O

InChI

InChI=1S/C18H15N3O5/c1-3-25-18-16(22)14-9-11(2)7-8-15(14)20(18)17(19-26-18)12-5-4-6-13(10-12)21(23)24/h4-10H,3H2,1-2H3/t18-/m0/s1

InChI Key

CDQFNTROYLTGGV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07657183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.620

Water Solubility, LogSw

-3.92

Polar Surface Area

81.458

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8018-1942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1942?
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What is the minimum amount of 8018-1942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1942
  • 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 8018-1942 available by request