SB71-0681 Screening compound: 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-isopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

SB71-0681 Screening compound: 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-isopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SB71-0681 Screening compound: 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-isopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB71-0681
5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-isopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-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

SB71-0681

Molecular Formula

C19H24N4O2 (C19 H24 N4 O2)

Compound Name

5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-isopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

IUPAC name

5-[(23-dihydro-1-benzofuran-5-yl)methyl]-N-(propan-2-yl)-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carboxamide

SMILES

CC(C)NC(c1nn(CCN(Cc(cc2)cc3c2OCC3)C2)c2c1)=O

InChI

InChI=1S/C19H24N4O2/c1-13(2)20-19(24)17-10-16-12-22(6-7-23(16)21-17)11-14-3-4-18-15(9-14)5-8-25-18/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,20,24)

InChI Key

IAUNANUSXOATNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32249485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.645

Distribution Coefficient, logD

1.526

Water Solubility, LogSw

-2.39

Polar Surface Area

49.339

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

SB71-0681 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 SB71-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB71-0681?
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What is the minimum amount of SB71-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB71-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB71-0681
  • 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 SB71-0681 available by request