SC19-0349 Screening compound: {4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}(1,3-thiazol-4-yl)methanone

SC19-0349 Screening compound: {4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}(1,3-thiazol-4-yl)methanone
SC19-0349 Screening compound: {4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}(1,3-thiazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC19-0349
{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}(1,3-thiazol-4-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

SC19-0349

Molecular Formula

C18H25N5O2S (C18 H25 N5 O2 S)

Compound Name

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

IUPAC name

1-({1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}methyl)-4-(13-thiazole-4-carbonyl)-14-diazepane

SMILES

CCn1nc(CN(CCC2)CCN2C(c2cscn2)=O)c2c1CCOC2

InChI

InChI=1S/C18H25N5O2S/c1-2-23-17-4-9-25-11-14(17)15(20-23)10-21-5-3-6-22(8-7-21)18(24)16-12-26-13-19-16/h12-13H,2-11H2,1H3

InChI Key

JXQWSPXVJFTSGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

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

0.463

Distribution Coefficient, logD

-3.482

Water Solubility, LogSw

-1.30

Polar Surface Area

53.665

Acid Dissociation Constant (pKa)

22.92

Base Dissociation Constant (pKb)

11.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

SC19-0349 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC19-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC19-0349?
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What is the minimum amount of SC19-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC19-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC19-0349
  • 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 SC19-0349 available by request