SA21-0095 Screening compound: 1-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-N,N-dimethylpyrrolidin-3-amine

SA21-0095 Screening compound: 1-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
SA21-0095 Screening compound: 1-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-N,N-dimethylpyrrolidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA21-0095
1-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-N,N-dimethylpyrrolidin-3-amine

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

SA21-0095

Molecular Formula

C20H25ClN8O2 (C20 H25 ClN8 O2)

Compound Name

1-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-N,N-dimethylpyrrolidin-3-amine

IUPAC name

1-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-[1-(2-methoxyethyl)-1H-1234-tetrazol-5-yl]-NN-dimethylpyrrolidin-3-amine

SMILES

CN(C)C(CC1)(CN1C(c1cc(-c2cccc(Cl)c2)n[nH]1)=O)c1nnnn1CCOC

InChI

InChI=1S/C20H25ClN8O2/c1-27(2)20(19-24-25-26-29(19)9-10-31-3)7-8-28(13-20)18(30)17-12-16(22-23-17)14-5-4-6-15(21)11-14/h4-6,11-12H,7-10,13H2,1-3H3,(H,22,23)/t20-/m0/s1

InChI Key

CFRAYCFPJIOELM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32235370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.162

Distribution Coefficient, logD

2.161

Water Solubility, LogSw

-3.30

Polar Surface Area

89.630

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

SA21-0095 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA21-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA21-0095?
Check Price and Availability of SA21-0095, 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 SA21-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA21-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA21-0095
  • 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 SA21-0095 available by request