SB71-0886 Screening compound: N-isobutyl-5-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

SB71-0886 Screening compound: N-isobutyl-5-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SB71-0886 Screening compound: N-isobutyl-5-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB71-0886
N-isobutyl-5-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-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

SB71-0886

Molecular Formula

C17H23N5O2 (C17 H23 N5 O2)

Compound Name

N-isobutyl-5-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

IUPAC name

5-(1-methyl-1H-pyrrole-2-carbonyl)-N-(2-methylpropyl)-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carboxamide

SMILES

CC(C)CNC(c1nn(CCN(C2)C(c3cccn3C)=O)c2c1)=O

InChI

InChI=1S/C17H23N5O2/c1-12(2)10-18-16(23)14-9-13-11-21(7-8-22(13)19-14)17(24)15-5-4-6-20(15)3/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,18,23)

InChI Key

JXRBIPQQUMCQGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32249370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.649

Distribution Coefficient, logD

1.649

Water Solubility, LogSw

-2.32

Polar Surface Area

57.459

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

SB71-0886 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 SB71-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB71-0886?
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What is the minimum amount of SB71-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB71-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB71-0886
  • 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 SB71-0886 available by request