SB69-0476 Screening compound: (5S)-5-(3-pyridyloxy)-N-(3-thienylmethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide

SB69-0476 Screening compound: (5S)-5-(3-pyridyloxy)-N-(3-thienylmethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide
SB69-0476 Screening compound: (5S)-5-(3-pyridyloxy)-N-(3-thienylmethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB69-0476
(5S)-5-(3-pyridyloxy)-N-(3-thienylmethyl)-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

SB69-0476

Molecular Formula

C17H16N4O2S (C17 H16 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nn(C[C@H](C2)Oc3cnccc3)c2c1)NCc1cscc1

InChI

InChI=1S/C17H16N4O2S/c22-17(19-8-12-3-5-24-11-12)16-7-13-6-15(10-21(13)20-16)23-14-2-1-4-18-9-14/h1-5,7,9,11,15H,6,8,10H2,(H,19,22)/t15-/m1/s1

InChI Key

QWARVKQRZNBEBP-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.625

Distribution Coefficient, logD

1.619

Water Solubility, LogSw

-1.94

Polar Surface Area

55.479

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

SB69-0476 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SB69-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB69-0476?
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What is the minimum amount of SB69-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB69-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB69-0476
  • 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 SB69-0476 available by request