SB69-0535 Screening compound: (5S)-N-{[1-(2-fluorobenzyl)-4-piperidyl]methyl}-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide

SB69-0535 Screening compound: (5S)-N-{[1-(2-fluorobenzyl)-4-piperidyl]methyl}-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide
SB69-0535 Screening compound: (5S)-N-{[1-(2-fluorobenzyl)-4-piperidyl]methyl}-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB69-0535
(5S)-N-{[1-(2-fluorobenzyl)-4-piperidyl]methyl}-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

SB69-0535

Molecular Formula

C25H28FN5O2 (C25 H28 FN5 O2)

Compound Name

(5S)-N-{[1-(2-fluorobenzyl)-4-piperidyl]methyl}-5-(4-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide

IUPAC name

(5S)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-5-(pyridin-4-yloxy)-4H5H6H-pyrrolo[12-b]pyrazole-2-carboxamide

SMILES

O=C(c1nn(C[C@H](C2)Oc3ccncc3)c2c1)NCC1CCN(Cc(cccc2)c2F)CC1

InChI

InChI=1S/C25H28FN5O2/c26-23-4-2-1-3-19(23)16-30-11-7-18(8-12-30)15-28-25(32)24-14-20-13-22(17-31(20)29-24)33-21-5-9-27-10-6-21/h1-6,9-10,14,18,22H,7-8,11-13,15-17H2,(H,28,32)/t22-/m1/s1

InChI Key

NYXVUYYZDGASNG-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.472

Distribution Coefficient, logD

0.682

Water Solubility, LogSw

-2.59

Polar Surface Area

58.103

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

SB69-0535 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB69-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB69-0535?
Check Price and Availability of SB69-0535, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB69-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB69-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB69-0535
  • 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 SB69-0535 available by request