SC19-0289 Screening compound: 1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methoxyphenoxy)-1-ethanone

SC19-0289 Screening compound: 1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methoxyphenoxy)-1-ethanone
SC19-0289 Screening compound: 1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methoxyphenoxy)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC19-0289
1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methoxyphenoxy)-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

SC19-0289

Molecular Formula

C23H32N4O4 (C23 H32 N4 O4)

Compound Name

1-{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methoxyphenoxy)-1-ethanone

IUPAC name

1-[4-({1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}methyl)-14-diazepan-1-yl]-2-(4-methoxyphenoxy)ethan-1-one

SMILES

CCn1nc(CN(CCC2)CCN2C(COc(cc2)ccc2OC)=O)c2c1CCOC2

InChI

InChI=1S/C23H32N4O4/c1-3-27-22-9-14-30-16-20(22)21(24-27)15-25-10-4-11-26(13-12-25)23(28)17-31-19-7-5-18(29-2)6-8-19/h5-8H,3-4,9-17H2,1-2H3

InChI Key

DOBMTXNKTJIQIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.873

Distribution Coefficient, logD

-3.589

Water Solubility, LogSw

-1.54

Polar Surface Area

58.553

Acid Dissociation Constant (pKa)

22.92

Base Dissociation Constant (pKb)

11.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.52

SC19-0289 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 SC19-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC19-0289?
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What is the minimum amount of SC19-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC19-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC19-0289
  • 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 SC19-0289 available by request