SD02-1379 Screening compound: 2-[3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-(3-methylbenzoyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-morpholino-1-ethanone

SD02-1379 Screening compound: 2-[3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-(3-methylbenzoyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-morpholino-1-ethanone
SD02-1379 Screening compound: 2-[3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-(3-methylbenzoyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-morpholino-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD02-1379
2-[3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-(3-methylbenzoyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-morpholino-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

SD02-1379

Molecular Formula

C27H37N5O4 (C27 H37 N5 O4)

Compound Name

2-[3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-8-(3-methylbenzoyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-morpholino-1-ethanone

IUPAC name

2-[8-(3-methylbenzoyl)-3-[5-(propan-2-yl)-134-oxadiazol-2-yl]-28-diazaspiro[4.5]decan-2-yl]-1-(morpholin-4-yl)ethan-1-one

SMILES

CC(C)c1nnc(C(C2)N(CC(N3CCOCC3)=O)CC2(CC2)CCN2C(c2cc(C)ccc2)=O)o1

InChI

InChI=1S/C27H37N5O4/c1-19(2)24-28-29-25(36-24)22-16-27(18-32(22)17-23(33)30-11-13-35-14-12-30)7-9-31(10-8-27)26(34)21-6-4-5-20(3)15-21/h4-6,15,19,22H,7-14,16-18H2,1-3H3/t22-/m1/s1

InChI Key

HJZKZAXYXXECDG-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.538

Distribution Coefficient, logD

1.419

Water Solubility, LogSw

-1.98

Polar Surface Area

75.323

Acid Dissociation Constant (pKa)

24.58

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.96

SD02-1379 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 SD02-1379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD02-1379?
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What is the minimum amount of SD02-1379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD02-1379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD02-1379
  • 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 SD02-1379 available by request