SA21-0452 Screening compound: 1-[3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one

SA21-0452 Screening compound: 1-[3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one
SA21-0452 Screening compound: 1-[3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA21-0452
1-[3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one

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

SA21-0452

Molecular Formula

C22H31FN6O (C22 H31 FN6 O)

Compound Name

1-[3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one

IUPAC name

1-[3-(1-cyclopentyl-1H-1234-tetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one

SMILES

CCN(CC)C(CC1)(CN1C(Cc(cccc1)c1F)=O)c1nnnn1C1CCCC1

InChI

InChI=1S/C22H31FN6O/c1-3-28(4-2)22(21-24-25-26-29(21)18-10-6-7-11-18)13-14-27(16-22)20(30)15-17-9-5-8-12-19(17)23/h5,8-9,12,18H,3-4,6-7,10-11,13-16H2,1-2H3/t22-/m0/s1

InChI Key

KOPKRMVOAUNVMB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD31997573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.603

Distribution Coefficient, logD

3.552

Water Solubility, LogSw

-3.60

Polar Surface Area

58.287

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

SA21-0452 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 SA21-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA21-0452?
Check Price and Availability of SA21-0452, 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 SA21-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA21-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA21-0452
  • 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 SA21-0452 available by request