SD02-0305 Screening compound: 2-{3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-[2-(1H-1,2,3,4-tetraazol-1-yl)acetyl]-2,8-diazaspiro[4.5]dec-2-yl}-N~1~,N~1~-dimethylacetamide

SD02-0305 Screening compound: 2-{3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-[2-(1H-1,2,3,4-tetraazol-1-yl)acetyl]-2,8-diazaspiro[4.5]dec-2-yl}-N~1~,N~1~-dimethylacetamide
SD02-0305 Screening compound: 2-{3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-[2-(1H-1,2,3,4-tetraazol-1-yl)acetyl]-2,8-diazaspiro[4.5]dec-2-yl}-N~1~,N~1~-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD02-0305
2-{3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-[2-(1H-1,2,3,4-tetraazol-1-yl)acetyl]-2,8-diazaspiro[4.5]dec-2-yl}-N~1~,N~1~-dimethylacetamide

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

SD02-0305

Molecular Formula

C20H31N9O3 (C20 H31 N9 O3)

Compound Name

2-{3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-[2-(1H-1,2,3,4-tetraazol-1-yl)acetyl]-2,8-diazaspiro[4.5]dec-2-yl}-N~1~,N~1~-dimethylacetamide

IUPAC name

NN-dimethyl-2-{3-[5-(propan-2-yl)-134-oxadiazol-2-yl]-8-[2-(1H-1234-tetrazol-1-yl)acetyl]-28-diazaspiro[4.5]decan-2-yl}acetamide

SMILES

CC(C)c1nnc(C(C2)N(CC(N(C)C)=O)CC2(CC2)CCN2C(Cn2nnnc2)=O)o1

InChI

InChI=1S/C20H31N9O3/c1-14(2)18-22-23-19(32-18)15-9-20(12-28(15)10-16(30)26(3)4)5-7-27(8-6-20)17(31)11-29-13-21-24-25-29/h13-15H,5-12H2,1-4H3/t15-/m1/s1

InChI Key

KKUOILKKDRPKLM-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.915

Distribution Coefficient, logD

-1.071

Water Solubility, LogSw

0.03

Polar Surface Area

106.425

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

SD02-0305 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD02-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD02-0305?
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What is the minimum amount of SD02-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD02-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD02-0305
  • 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 SD02-0305 available by request