E971-0073 Screening compound: 4'-{[(3-chlorophenyl)methyl]sulfanyl}-1'H-spiro[cyclohexane-1,2'-quinazoline]

E971-0073 Screening compound: 4'-{[(3-chlorophenyl)methyl]sulfanyl}-1'H-spiro[cyclohexane-1,2'-quinazoline]
E971-0073 Screening compound: 4'-{[(3-chlorophenyl)methyl]sulfanyl}-1'H-spiro[cyclohexane-1,2'-quinazoline] alternative view

Chemical Structure Depiction of ChemDiv screening compound E971-0073
4'-{[(3-chlorophenyl)methyl]sulfanyl}-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

E971-0073

Molecular Formula

C20H21ClN2S (C20 H21 ClN2 S)

Compound Name

4'-{[(3-chlorophenyl)methyl]sulfanyl}-1'H-spiro[cyclohexane-1,2'-quinazoline]

IUPAC name

4'-{[(3-chlorophenyl)methyl]sulfanyl}-1'H-spiro[cyclohexane-12'-quinazoline]

SMILES

Clc1cc(CSC2=NC3(CCCCC3)Nc3c2cccc3)ccc1

InChI

InChI=1S/C20H21ClN2S/c21-16-8-6-7-15(13-16)14-24-19-17-9-2-3-10-18(17)22-20(23-19)11-4-1-5-12-20/h2-3,6-10,13,22H,1,4-5,11-12,14H2

InChI Key

UENPBCRQAJMECJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.92

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.698

Distribution Coefficient, logD

5.697

Water Solubility, LogSw

-6.10

Polar Surface Area

20.041

Acid Dissociation Constant (pKa)

18.71

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E971-0073 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E971-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E971-0073?
Check Price and Availability of E971-0073, 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 E971-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E971-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E971-0073
  • 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 E971-0073 available by request