8010-1691 Screening compound: 2-[(1,5-dicyano-9-methyl-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]acetamide

8010-1691 Screening compound: 2-[(1,5-dicyano-9-methyl-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]acetamide
8010-1691 Screening compound: 2-[(1,5-dicyano-9-methyl-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1691
2-[(1,5-dicyano-9-methyl-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]acetamide

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

8010-1691

Molecular Formula

C15H18N4O2S (C15 H18 N4 O2 S)

Compound Name

2-[(1,5-dicyano-9-methyl-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]acetamide

IUPAC name

2-({15-dicyano-9-methyl-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl}sulfanyl)acetamide

SMILES

CC(CC1)CCC1(C(C(N1)=O)C#N)C(C#N)=C1SCC(N)=O

InChI

InChI=1S/C15H18N4O2S/c1-9-2-4-15(5-3-9)10(6-16)13(21)19-14(11(15)7-17)22-8-12(18)20/h9-10H,2-5,8H2,1H3,(H2,18,20)(H,19,21)/t9?,10-,15?/m0/s1

InChI Key

BYPQJRIUZDKOQN-VOZQYIJBSA-N

MDL Number (MFCD)

MFCD01578772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.971

Distribution Coefficient, logD

0.949

Water Solubility, LogSw

-2.08

Polar Surface Area

91.880

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

8010-1691 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-1691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1691?
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What is the minimum amount of 8010-1691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1691
  • 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 8010-1691 available by request