SC19-0317 Screening compound: {4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}(6-methyl-3-pyridyl)methanone

SC19-0317 Screening compound: {4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}(6-methyl-3-pyridyl)methanone
SC19-0317 Screening compound: {4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}(6-methyl-3-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC19-0317
{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}(6-methyl-3-pyridyl)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

SC19-0317

Molecular Formula

C21H29N5O2 (C21 H29 N5 O2)

Compound Name

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

IUPAC name

1-({1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}methyl)-4-(6-methylpyridine-3-carbonyl)-14-diazepane

SMILES

CCn1nc(CN(CCC2)CCN2C(c2cnc(C)cc2)=O)c2c1CCOC2

InChI

InChI=1S/C21H29N5O2/c1-3-26-20-7-12-28-15-18(20)19(23-26)14-24-8-4-9-25(11-10-24)21(27)17-6-5-16(2)22-13-17/h5-6,13H,3-4,7-12,14-15H2,1-2H3

InChI Key

MGXAFGXIEFDNMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.453

Distribution Coefficient, logD

-3.154

Water Solubility, LogSw

-1.35

Polar Surface Area

52.981

Acid Dissociation Constant (pKa)

22.92

Base Dissociation Constant (pKb)

11.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

SC19-0317 in Drug Discovery

Included in Screening Libraries

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 SC19-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC19-0317?
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What is the minimum amount of SC19-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC19-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC19-0317
  • 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 SC19-0317 available by request