SC19-0698 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-4-piperidyl}acetamide

SC19-0698 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-4-piperidyl}acetamide
SC19-0698 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-4-piperidyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC19-0698
2-(3,5-dimethyl-4-isoxazolyl)-N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-4-piperidyl}acetamide

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

SC19-0698

Molecular Formula

C21H31N5O3 (C21 H31 N5 O3)

Compound Name

2-(3,5-dimethyl-4-isoxazolyl)-N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-4-piperidyl}acetamide

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-N-[1-({1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}methyl)piperidin-4-yl]acetamide

SMILES

CCn1nc(CN(CC2)CCC2NC(Cc2c(C)onc2C)=O)c2c1CCOC2

InChI

InChI=1S/C21H31N5O3/c1-4-26-20-7-10-28-13-18(20)19(23-26)12-25-8-5-16(6-9-25)22-21(27)11-17-14(2)24-29-15(17)3/h16H,4-13H2,1-3H3,(H,22,27)

InChI Key

JAAGZWPZGUJHPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32255933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.439

Distribution Coefficient, logD

-5.168

Water Solubility, LogSw

-1.07

Polar Surface Area

73.021

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

13.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

SC19-0698 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 SC19-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SC19-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC19-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC19-0698
  • 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 SC19-0698 available by request