SC58-0269 Screening compound: [1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl][6-methyl-8-(5-methyl-1,3-oxazol-2-yl)-2,6-diazaspiro[3.4]oct-2-yl]methanone

SC58-0269 Screening compound: [1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl][6-methyl-8-(5-methyl-1,3-oxazol-2-yl)-2,6-diazaspiro[3.4]oct-2-yl]methanone
SC58-0269 Screening compound: [1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl][6-methyl-8-(5-methyl-1,3-oxazol-2-yl)-2,6-diazaspiro[3.4]oct-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC58-0269
[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl][6-methyl-8-(5-methyl-1,3-oxazol-2-yl)-2,6-diazaspiro[3.4]oct-2-yl]methanone

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

SC58-0269

Molecular Formula

C21H30N4O3 (C21 H30 N4 O3)

Compound Name

[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl][6-methyl-8-(5-methyl-1,3-oxazol-2-yl)-2,6-diazaspiro[3.4]oct-2-yl]methanone

IUPAC name

2-[1-(2-methoxyethyl)-25-dimethyl-1H-pyrrole-3-carbonyl]-6-methyl-8-(5-methyl-13-oxazol-2-yl)-26-diazaspiro[3.4]octane

SMILES

Cc1cc(C(N(C2)CC2(CN(C)C2)C2c2ncc(C)o2)=O)c(C)n1CCOC

InChI

InChI=1S/C21H30N4O3/c1-14-8-17(16(3)25(14)6-7-27-5)20(26)24-12-21(13-24)11-23(4)10-18(21)19-22-9-15(2)28-19/h8-9,18H,6-7,10-13H2,1-5H3/t18-/m1/s1

InChI Key

MYMJQHZSTAFYKV-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.253

Distribution Coefficient, logD

-2.955

Water Solubility, LogSw

-1.94

Polar Surface Area

48.374

Acid Dissociation Constant (pKa)

28.36

Base Dissociation Constant (pKb)

11.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SC58-0269 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC58-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC58-0269?
Check Price and Availability of SC58-0269, 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 SC58-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC58-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC58-0269
  • 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 SC58-0269 available by request