SA63-0697 Screening compound: {4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(1-ethyl-1H-pyrazol-5-yl)methanone

SA63-0697 Screening compound: {4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(1-ethyl-1H-pyrazol-5-yl)methanone
SA63-0697 Screening compound: {4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(1-ethyl-1H-pyrazol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA63-0697
{4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(1-ethyl-1H-pyrazol-5-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

SA63-0697

Molecular Formula

C19H32N4O2 (C19 H32 N4 O2)

Compound Name

{4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(1-ethyl-1H-pyrazol-5-yl)methanone

IUPAC name

{2-[9-(1-ethyl-1H-pyrazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethyl}dimethylamine

SMILES

CCn1nccc1C(N(CC1)CCC11OCCC(CCN(C)C)C1)=O

InChI

InChI=1S/C19H32N4O2/c1-4-23-17(5-10-20-23)18(24)22-12-8-19(9-13-22)15-16(7-14-25-19)6-11-21(2)3/h5,10,16H,4,6-9,11-15H2,1-3H3/t16-/m1/s1

InChI Key

UZAYKTSHSRFBFO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32238607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.401

Distribution Coefficient, logD

-0.497

Water Solubility, LogSw

-1.80

Polar Surface Area

40.443

Acid Dissociation Constant (pKa)

27.32

Base Dissociation Constant (pKb)

9.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

SA63-0697 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA63-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA63-0697?
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What is the minimum amount of SA63-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA63-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA63-0697
  • 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 SA63-0697 available by request