S029-0789 Screening compound: {N}-CYCLOPENTYL-1'-(2-FUROYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE

S029-0789 Screening compound: {N}-CYCLOPENTYL-1'-(2-FUROYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE
S029-0789 Screening compound: {N}-CYCLOPENTYL-1'-(2-FUROYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S029-0789
{N}-CYCLOPENTYL-1'-(2-FUROYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE

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

S029-0789

Molecular Formula

C22H26N4O2 (C22 H26 N4 O2)

Compound Name

{N}-CYCLOPENTYL-1'-(2-FUROYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE

IUPAC name

n/a

SMILES

O=C(c1ccco1)N(CC1)CC11NCc(cccc2)c2N=C1NC1CCCC1

InChI

InChI=1S/C22H26N4O2/c27-20(19-10-5-13-28-19)26-12-11-22(15-26)21(24-17-7-2-3-8-17)25-18-9-4-1-6-16(18)14-23-22/h1,4-6,9-10,13,17,23H,2-3,7-8,11-12,14-15H2,(H,24,25)/t22-/m0/s1

InChI Key

KKKZMHZOMLJKGC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD29033288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.703

Distribution Coefficient, logD

2.584

Water Solubility, LogSw

-3.02

Polar Surface Area

58.039

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

S029-0789 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bromodomain Modulators Library (5801 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S029-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S029-0789?
Check Price and Availability of S029-0789, 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 S029-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S029-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S029-0789
  • 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 S029-0789 available by request