S434-0672 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-4-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine-2-carboxamide

S434-0672 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-4-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine-2-carboxamide
S434-0672 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-4-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S434-0672
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-4-(pyrrolidin-1-yl)pyrazolo[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

S434-0672

Molecular Formula

C20H21N5O3 (C20 H21 N5 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-4-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine-2-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-methyl-4-(pyrrolidin-1-yl)pyrazolo[15-a]pyrazine-2-carboxamide

SMILES

Cc(nc(c1c2)N3CCCC3)cn1nc2C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C20H21N5O3/c1-13-11-25-16(19(22-13)24-6-2-3-7-24)9-15(23-25)20(26)21-10-14-4-5-17-18(8-14)28-12-27-17/h4-5,8-9,11H,2-3,6-7,10,12H2,1H3,(H,21,26)

InChI Key

RDMWNGWIEVMUTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

2.753

Water Solubility, LogSw

-3.02

Polar Surface Area

64.708

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S434-0672 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 S434-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S434-0672?
Check Price and Availability of S434-0672, 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 S434-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S434-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S434-0672
  • 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 S434-0672 available by request