E971-0319 Screening compound: N-(3-fluorophenyl)-2-{1'H-spiro[cycloheptane-1,2'-quinazoline]sulfanyl}acetamide

E971-0319 Screening compound: N-(3-fluorophenyl)-2-{1'H-spiro[cycloheptane-1,2'-quinazoline]sulfanyl}acetamide
E971-0319 Screening compound: N-(3-fluorophenyl)-2-{1'H-spiro[cycloheptane-1,2'-quinazoline]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E971-0319
N-(3-fluorophenyl)-2-{1'H-spiro[cycloheptane-1,2'-quinazoline]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

E971-0319

Molecular Formula

C22H24FN3OS (C22 H24 FN3 OS)

Compound Name

N-(3-fluorophenyl)-2-{1'H-spiro[cycloheptane-1,2'-quinazoline]sulfanyl}acetamide

IUPAC name

N-(3-fluorophenyl)-2-{1'H-spiro[cycloheptane-12'-quinazoline]sulfanyl}acetamide

SMILES

O=C(CSC1=NC2(CCCCCC2)Nc2c1cccc2)Nc1cc(F)ccc1

InChI

InChI=1S/C22H24FN3OS/c23-16-8-7-9-17(14-16)24-20(27)15-28-21-18-10-3-4-11-19(18)25-22(26-21)12-5-1-2-6-13-22/h3-4,7-11,14,25H,1-2,5-6,12-13,15H2,(H,24,27)

InChI Key

IAPGSNKBVATHAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.089

Distribution Coefficient, logD

5.089

Water Solubility, LogSw

-4.98

Polar Surface Area

43.522

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E971-0319 in Drug Discovery

Included in Screening Libraries

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:
  • 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 E971-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E971-0319?
Check Price and Availability of E971-0319, 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 E971-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E971-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E971-0319
  • 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 E971-0319 available by request