T808-2272 Screening compound: N~2~-(4-butylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

T808-2272 Screening compound: N~2~-(4-butylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
T808-2272 Screening compound: N~2~-(4-butylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T808-2272
N~2~-(4-butylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

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

T808-2272

Molecular Formula

C22H30N4O3 (C22 H30 N4 O3)

Compound Name

N~2~-(4-butylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

IUPAC name

N-(4-butylphenyl)-4-(3-methyl-124-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

SMILES

CCCCc(cc1)ccc1NC(N(C1)CC2(CCOCC2)C1c1nc(C)no1)=O

InChI

InChI=1S/C22H30N4O3/c1-3-4-5-17-6-8-18(9-7-17)24-21(27)26-14-19(20-23-16(2)25-29-20)22(15-26)10-12-28-13-11-22/h6-9,19H,3-5,10-15H2,1-2H3,(H,24,27)/t19-/m0/s1

InChI Key

MABPRJIRDAITCQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27623619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.117

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.00

Polar Surface Area

65.060

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

T808-2272 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T808-2272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T808-2272?
Check Price and Availability of T808-2272, 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 T808-2272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T808-2272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T808-2272
  • 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 T808-2272 available by request