S397-0271 Screening compound: 2-{4-[1-(cyclopropylmethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazin-1-yl}-N,N-dimethylacetamide

S397-0271 Screening compound: 2-{4-[1-(cyclopropylmethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazin-1-yl}-N,N-dimethylacetamide
S397-0271 Screening compound: 2-{4-[1-(cyclopropylmethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazin-1-yl}-N,N-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0271
2-{4-[1-(cyclopropylmethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazin-1-yl}-N,N-dimethylacetamide

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

S397-0271

Molecular Formula

C19H29N5O3 (C19 H29 N5 O3)

Compound Name

2-{4-[1-(cyclopropylmethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazin-1-yl}-N,N-dimethylacetamide

IUPAC name

2-{4-[1-(cyclopropylmethyl)-1H4H6H7H-pyrano[43-c]pyrazole-3-carbonyl]piperazin-1-yl}-NN-dimethylacetamide

SMILES

CN(C)C(CN(CC1)CCN1C(c1nn(CC2CC2)c2c1COCC2)=O)=O

InChI

InChI=1S/C19H29N5O3/c1-21(2)17(25)12-22-6-8-23(9-7-22)19(26)18-15-13-27-10-5-16(15)24(20-18)11-14-3-4-14/h14H,3-13H2,1-2H3

InChI Key

CZSHQQBEFYPBES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.866

Distribution Coefficient, logD

-0.867

Water Solubility, LogSw

0.19

Polar Surface Area

59.482

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.68

S397-0271 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 MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S397-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0271?
Check Price and Availability of S397-0271, 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 S397-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0271
  • 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 S397-0271 available by request