SA21-1084 Screening compound: 3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-N,N-diethylpyrrolidin-3-amine

SA21-1084 Screening compound: 3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-N,N-diethylpyrrolidin-3-amine
SA21-1084 Screening compound: 3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-N,N-diethylpyrrolidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA21-1084
3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-N,N-diethylpyrrolidin-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

SA21-1084

Molecular Formula

C14H26N6 (C14 H26 N6)

Compound Name

3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-N,N-diethylpyrrolidin-3-amine

IUPAC name

3-(1-cyclopentyl-1H-1234-tetrazol-5-yl)-NN-diethylpyrrolidin-3-amine

SMILES

CCN(CC)C1(CNCC1)c1nnnn1C1CCCC1

InChI

InChI=1S/C14H26N6/c1-3-19(4-2)14(9-10-15-11-14)13-16-17-18-20(13)12-7-5-6-8-12/h12,15H,3-11H2,1-2H3/t14-/m0/s1

InChI Key

DVRTYHBXROTIOX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32200545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.668

Distribution Coefficient, logD

0.093

Water Solubility, LogSw

-1.48

Polar Surface Area

54.316

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

92.86

SA21-1084 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 SA21-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA21-1084?
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What is the minimum amount of SA21-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA21-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA21-1084
  • 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 SA21-1084 available by request