SB69-0429 Screening compound: (5S)-N-(4-ethylbenzyl)-5-(3-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide

SB69-0429 Screening compound: (5S)-N-(4-ethylbenzyl)-5-(3-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide
SB69-0429 Screening compound: (5S)-N-(4-ethylbenzyl)-5-(3-pyridyloxy)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB69-0429
(5S)-N-(4-ethylbenzyl)-5-(3-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

SB69-0429

Molecular Formula

C21H22N4O2 (C21 H22 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(CNC(c2nn(C[C@H](C3)Oc4cnccc4)c3c2)=O)cc1

InChI

InChI=1S/C21H22N4O2/c1-2-15-5-7-16(8-6-15)12-23-21(26)20-11-17-10-19(14-25(17)24-20)27-18-4-3-9-22-13-18/h3-9,11,13,19H,2,10,12,14H2,1H3,(H,23,26)/t19-/m1/s1

InChI Key

VWFDUXZXRYUUQA-LJQANCHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.723

Water Solubility, LogSw

-2.73

Polar Surface Area

54.460

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

SB69-0429 in Drug Discovery

Included in Screening Libraries

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 SB69-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB69-0429?
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What is the minimum amount of SB69-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB69-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB69-0429
  • 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 SB69-0429 available by request