T822-2393 Screening compound: 1-[8-[(5-bromo-2-thienyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-ethanone

T822-2393 Screening compound: 1-[8-[(5-bromo-2-thienyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-ethanone
T822-2393 Screening compound: 1-[8-[(5-bromo-2-thienyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T822-2393
1-[8-[(5-bromo-2-thienyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-ethanone

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

T822-2393

Molecular Formula

C16H23BrN2O2S (C16 H23 BrN2 O2 S)

Compound Name

1-[8-[(5-bromo-2-thienyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-ethanone

IUPAC name

1-{8-[(5-bromothiophen-2-yl)methyl]-4-(hydroxymethyl)-28-diazaspiro[4.5]decan-2-yl}ethan-1-one

SMILES

CC(N1CC2(CCN(Cc(s3)ccc3Br)CC2)C(CO)C1)=O

InChI

InChI=1S/C16H23BrN2O2S/c1-12(21)19-8-13(10-20)16(11-19)4-6-18(7-5-16)9-14-2-3-15(17)22-14/h2-3,13,20H,4-11H2,1H3/t13-/m1/s1

InChI Key

JAJRUTWXILERBM-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29018661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.005

Distribution Coefficient, logD

1.502

Water Solubility, LogSw

-2.13

Polar Surface Area

39.454

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

T822-2393 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T822-2393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T822-2393?
Check Price and Availability of T822-2393, 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 T822-2393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T822-2393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T822-2393
  • 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 T822-2393 available by request