SB71-0966 Screening compound: 1-pyrrolidinyl[5-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methanone

SB71-0966 Screening compound: 1-pyrrolidinyl[5-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methanone
SB71-0966 Screening compound: 1-pyrrolidinyl[5-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB71-0966
1-pyrrolidinyl[5-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methanone

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

SB71-0966

Molecular Formula

C21H26N4O3S (C21 H26 N4 O3 S)

Compound Name

1-pyrrolidinyl[5-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methanone

IUPAC name

1-[5-(5678-tetrahydronaphthalene-2-sulfonyl)-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carbonyl]pyrrolidine

SMILES

O=C(c1nn(CCN(C2)S(c3cc(CCCC4)c4cc3)(=O)=O)c2c1)N1CCCC1

InChI

InChI=1S/C21H26N4O3S/c26-21(23-9-3-4-10-23)20-14-18-15-24(11-12-25(18)22-20)29(27,28)19-8-7-16-5-1-2-6-17(16)13-19/h7-8,13-14H,1-6,9-12,15H2

InChI Key

GOBVLYHAEKXRME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32249462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.820

Distribution Coefficient, logD

2.820

Water Solubility, LogSw

-3.30

Polar Surface Area

62.355

Acid Dissociation Constant (pKa)

25.48

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

SB71-0966 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SB71-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB71-0966?
Check Price and Availability of SB71-0966, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB71-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB71-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB71-0966
  • 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 SB71-0966 available by request