SA20-0088 Screening compound: 3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-N,N-dimethylpiperidin-3-amine

SA20-0088 Screening compound: 3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-N,N-dimethylpiperidin-3-amine
SA20-0088 Screening compound: 3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-N,N-dimethylpiperidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA20-0088
3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-N,N-dimethylpiperidin-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

SA20-0088

Molecular Formula

C21H35N7O3 (C21 H35 N7 O3)

Compound Name

3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-N,N-dimethylpiperidin-3-amine

IUPAC name

3-[1-(2-methoxyethyl)-1H-1234-tetrazol-5-yl]-1-[1-(2-methoxyethyl)-25-dimethyl-1H-pyrrole-3-carbonyl]-NN-dimethylpiperidin-3-amine

SMILES

Cc1cc(C(N(CCC2)CC2(c2nnnn2CCOC)N(C)C)=O)c(C)n1CCOC

InChI

InChI=1S/C21H35N7O3/c1-16-14-18(17(2)27(16)10-12-30-5)19(29)26-9-7-8-21(15-26,25(3)4)20-22-23-24-28(20)11-13-31-6/h14H,7-13,15H2,1-6H3/t21-/m0/s1

InChI Key

GXGOMMKMAZMZMQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32235016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.362

Distribution Coefficient, logD

0.362

Water Solubility, LogSw

-1.25

Polar Surface Area

77.288

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

SA20-0088 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 SA20-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA20-0088?
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What is the minimum amount of SA20-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA20-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA20-0088
  • 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 SA20-0088 available by request