SA21-0363 Screening compound: 3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpyrrolidin-3-amine

SA21-0363 Screening compound: 3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpyrrolidin-3-amine
SA21-0363 Screening compound: 3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpyrrolidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA21-0363
3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-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

SA21-0363

Molecular Formula

C18H27N7OS (C18 H27 N7 OS)

Compound Name

3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpyrrolidin-3-amine

IUPAC name

3-(1-cyclopentyl-1H-1234-tetrazol-5-yl)-1-(24-dimethyl-13-thiazole-5-carbonyl)-NN-dimethylpyrrolidin-3-amine

SMILES

Cc1c(C(N(CC2)CC2(c2nnnn2C2CCCC2)N(C)C)=O)sc(C)n1

InChI

InChI=1S/C18H27N7OS/c1-12-15(27-13(2)19-12)16(26)24-10-9-18(11-24,23(3)4)17-20-21-22-25(17)14-7-5-6-8-14/h14H,5-11H2,1-4H3/t18-/m0/s1

InChI Key

HNQZYJKROQSSCY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32235095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.149

Distribution Coefficient, logD

2.142

Water Solubility, LogSw

-2.26

Polar Surface Area

69.272

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

SA21-0363 in Drug Discovery

Included in Screening Libraries

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 SA21-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA21-0363?
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What is the minimum amount of SA21-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA21-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA21-0363
  • 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 SA21-0363 available by request