8018-0687 Screening compound: 3'-acetyl-5'-cyclopropyl-3'H-spiro[indole-3,2'-[1,3,4]oxadiazol]-2(1H)-one

8018-0687 Screening compound: 3'-acetyl-5'-cyclopropyl-3'H-spiro[indole-3,2'-[1,3,4]oxadiazol]-2(1H)-one
8018-0687 Screening compound: 3'-acetyl-5'-cyclopropyl-3'H-spiro[indole-3,2'-[1,3,4]oxadiazol]-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0687
3'-acetyl-5'-cyclopropyl-3'H-spiro[indole-3,2'-[1,3,4]oxadiazol]-2(1H)-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

8018-0687

Molecular Formula

C14H13N3O3 (C14 H13 N3 O3)

Compound Name

3'-acetyl-5'-cyclopropyl-3'H-spiro[indole-3,2'-[1,3,4]oxadiazol]-2(1H)-one

IUPAC name

3'-acetyl-5'-cyclopropyl-12-dihydro-3'H-spiro[indole-32'-[134]oxadiazol]-2-one

SMILES

CC(N1N=C(C2CC2)OC1(c(cccc1)c1N1)C1=O)=O

InChI

InChI=1S/C14H13N3O3/c1-8(18)17-14(20-12(16-17)9-6-7-9)10-4-2-3-5-11(10)15-13(14)19/h2-5,9H,6-7H2,1H3,(H,15,19)/t14-/m0/s1

InChI Key

MELANYNGDLMJMF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07022296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.551

Distribution Coefficient, logD

1.551

Water Solubility, LogSw

-2.37

Polar Surface Area

60.511

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.71

8018-0687 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0687?
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What is the minimum amount of 8018-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0687
  • 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 8018-0687 available by request