E971-0010 Screening compound: 4'-(ethylsulfanyl)-1'H-spiro[cyclohexane-1,2'-quinazoline]

E971-0010 Screening compound: 4'-(ethylsulfanyl)-1'H-spiro[cyclohexane-1,2'-quinazoline]
E971-0010 Screening compound: 4'-(ethylsulfanyl)-1'H-spiro[cyclohexane-1,2'-quinazoline] alternative view

Chemical Structure Depiction of ChemDiv screening compound E971-0010
4'-(ethylsulfanyl)-1'H-spiro[cyclohexane-1,2'-quinazoline]

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

E971-0010

Molecular Formula

C15H20N2S (C15 H20 N2 S)

Compound Name

4'-(ethylsulfanyl)-1'H-spiro[cyclohexane-1,2'-quinazoline]

IUPAC name

4'-(ethylsulfanyl)-1'H-spiro[cyclohexane-12'-quinazoline]

SMILES

CCSC1=NC2(CCCCC2)Nc2c1cccc2

InChI

InChI=1S/C15H20N2S/c1-2-18-14-12-8-4-5-9-13(12)16-15(17-14)10-6-3-7-11-15/h4-5,8-9,16H,2-3,6-7,10-11H2,1H3

InChI Key

YXNQEQXXHOVFIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.001

Distribution Coefficient, logD

4.001

Water Solubility, LogSw

-4.17

Polar Surface Area

20.313

Acid Dissociation Constant (pKa)

18.45

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

E971-0010 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E971-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E971-0010?
Check Price and Availability of E971-0010, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E971-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E971-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E971-0010
  • 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 E971-0010 available by request