SB70-0033 Screening compound: [(5S)-5-(dimethylamino)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl][4-(methoxymethyl)piperidino]methanone

SB70-0033 Screening compound: [(5S)-5-(dimethylamino)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl][4-(methoxymethyl)piperidino]methanone
SB70-0033 Screening compound: [(5S)-5-(dimethylamino)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl][4-(methoxymethyl)piperidino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB70-0033
[(5S)-5-(dimethylamino)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl][4-(methoxymethyl)piperidino]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

SB70-0033

Molecular Formula

C16H26N4O2 (C16 H26 N4 O2)

Compound Name

[(5S)-5-(dimethylamino)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl][4-(methoxymethyl)piperidino]methanone

IUPAC name

(5S)-2-[4-(methoxymethyl)piperidine-1-carbonyl]-NN-dimethyl-4H5H6H-pyrrolo[12-b]pyrazol-5-amine

SMILES

CN(C)[C@@H](Cc1c2)Cn1nc2C(N1CCC(COC)CC1)=O

InChI

InChI=1S/C16H26N4O2/c1-18(2)14-8-13-9-15(17-20(13)10-14)16(21)19-6-4-12(5-7-19)11-22-3/h9,12,14H,4-8,10-11H2,1-3H3/t14-/m1/s1

InChI Key

FHJRGBGLGZPDSI-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.713

Distribution Coefficient, logD

0.336

Water Solubility, LogSw

-1.10

Polar Surface Area

41.785

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

SB70-0033 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB70-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB70-0033?
Check Price and Availability of SB70-0033, 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 SB70-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB70-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB70-0033
  • 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 SB70-0033 available by request