SA55-2349 Screening compound: 5-chloro-N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-methoxybenzamide

SA55-2349 Screening compound: 5-chloro-N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-methoxybenzamide
SA55-2349 Screening compound: 5-chloro-N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-2349
5-chloro-N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-methoxybenzamide

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

SA55-2349

Molecular Formula

C20H24ClN3O3 (C20 H24 ClN3 O3)

Compound Name

5-chloro-N~1~-{2-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-methoxybenzamide

IUPAC name

5-chloro-N-{2-[1-(cyclopropylmethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]ethyl}-2-methoxybenzamide

SMILES

COc(ccc(Cl)c1)c1C(NCCc1nn(CC2CC2)c2c1COCC2)=O

InChI

InChI=1S/C20H24ClN3O3/c1-26-19-5-4-14(21)10-15(19)20(25)22-8-6-17-16-12-27-9-7-18(16)24(23-17)11-13-2-3-13/h4-5,10,13H,2-3,6-9,11-12H2,1H3,(H,22,25)

InChI Key

CIWLWKOMMLOCIB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.716

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-3.55

Polar Surface Area

55.929

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

SA55-2349 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 SA55-2349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-2349?
Check Price and Availability of SA55-2349, 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 SA55-2349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-2349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-2349
  • 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 SA55-2349 available by request