SB69-0585 Screening compound: (5S)-N-[2-(3-pyridyl)ethyl]-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide

SB69-0585 Screening compound: (5S)-N-[2-(3-pyridyl)ethyl]-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide
SB69-0585 Screening compound: (5S)-N-[2-(3-pyridyl)ethyl]-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB69-0585
(5S)-N-[2-(3-pyridyl)ethyl]-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide

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

SB69-0585

Molecular Formula

C19H19N5O2 (C19 H19 N5 O2)

Compound Name

(5S)-N-[2-(3-pyridyl)ethyl]-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide

IUPAC name

(5S)-N-[2-(pyridin-3-yl)ethyl]-5-(pyridin-4-yloxy)-4H5H6H-pyrrolo[12-b]pyrazole-2-carboxamide

SMILES

O=C(c1nn(C[C@H](C2)Oc3ccncc3)c2c1)NCCc1cnccc1

InChI

InChI=1S/C19H19N5O2/c25-19(22-9-3-14-2-1-6-21-12-14)18-11-15-10-17(13-24(15)23-18)26-16-4-7-20-8-5-16/h1-2,4-8,11-12,17H,3,9-10,13H2,(H,22,25)/t17-/m1/s1

InChI Key

IDPJDSYDVLRCPY-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.035

Distribution Coefficient, logD

0.033

Water Solubility, LogSw

-0.94

Polar Surface Area

63.730

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

SB69-0585 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 SB69-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB69-0585?
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What is the minimum amount of SB69-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB69-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB69-0585
  • 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 SB69-0585 available by request