SB71-0894 Screening compound: 5-(butylsulfonyl)-N-isobutyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

SB71-0894 Screening compound: 5-(butylsulfonyl)-N-isobutyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SB71-0894 Screening compound: 5-(butylsulfonyl)-N-isobutyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB71-0894
5-(butylsulfonyl)-N-isobutyl-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

SB71-0894

Molecular Formula

C15H26N4O3S (C15 H26 N4 O3 S)

Compound Name

5-(butylsulfonyl)-N-isobutyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

IUPAC name

5-(butane-1-sulfonyl)-N-(2-methylpropyl)-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carboxamide

SMILES

CCCCS(N1Cc2cc(C(NCC(C)C)=O)nn2CC1)(=O)=O

InChI

InChI=1S/C15H26N4O3S/c1-4-5-8-23(21,22)18-6-7-19-13(11-18)9-14(17-19)15(20)16-10-12(2)3/h9,12H,4-8,10-11H2,1-3H3,(H,16,20)

InChI Key

YERIHZSWZZSXSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32249401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.388

Distribution Coefficient, logD

1.388

Water Solubility, LogSw

-2.12

Polar Surface Area

70.271

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.33

SB71-0894 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 SB71-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB71-0894?
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What is the minimum amount of SB71-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB71-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB71-0894
  • 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 SB71-0894 available by request