SC70-0486 Screening compound: N-(2,5-difluorophenyl)-8-(5-propyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide

SC70-0486 Screening compound: N-(2,5-difluorophenyl)-8-(5-propyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide
SC70-0486 Screening compound: N-(2,5-difluorophenyl)-8-(5-propyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC70-0486
N-(2,5-difluorophenyl)-8-(5-propyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane-6-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

SC70-0486

Molecular Formula

C19H23F2N5O (C19 H23 F2 N5 O)

Compound Name

N-(2,5-difluorophenyl)-8-(5-propyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide

IUPAC name

N-(25-difluorophenyl)-8-(5-propyl-1H-124-triazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide

SMILES

CCCc1nc(C(C2)C3(CCC3)CN2C(Nc(cc(cc2)F)c2F)=O)n[nH]1

InChI

InChI=1S/C19H23F2N5O/c1-2-4-16-23-17(25-24-16)13-10-26(11-19(13)7-3-8-19)18(27)22-15-9-12(20)5-6-14(15)21/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,22,27)(H,23,24,25)/t13-/m0/s1

InChI Key

OEXSIELCKFMNLX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32260169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.944

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-3.88

Polar Surface Area

60.270

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

References: we are preparing a list of scientific research reports with SC70-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC70-0486?
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What is the minimum amount of SC70-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC70-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC70-0486
  • 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 SC70-0486 available by request