SA21-0425 Screening compound: [3-(1-cyclopentyl-1H-1,2,3,4-tetraazol-5-yl)-3-(dimethylamino)-1-pyrrolidinyl][4-(methoxymethyl)-5-methyl-3-isoxazolyl]methanone

SA21-0425 Screening compound: [3-(1-cyclopentyl-1H-1,2,3,4-tetraazol-5-yl)-3-(dimethylamino)-1-pyrrolidinyl][4-(methoxymethyl)-5-methyl-3-isoxazolyl]methanone
SA21-0425 Screening compound: [3-(1-cyclopentyl-1H-1,2,3,4-tetraazol-5-yl)-3-(dimethylamino)-1-pyrrolidinyl][4-(methoxymethyl)-5-methyl-3-isoxazolyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA21-0425
[3-(1-cyclopentyl-1H-1,2,3,4-tetraazol-5-yl)-3-(dimethylamino)-1-pyrrolidinyl][4-(methoxymethyl)-5-methyl-3-isoxazolyl]methanone

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

SA21-0425

Molecular Formula

C19H29N7O3 (C19 H29 N7 O3)

Compound Name

[3-(1-cyclopentyl-1H-1,2,3,4-tetraazol-5-yl)-3-(dimethylamino)-1-pyrrolidinyl][4-(methoxymethyl)-5-methyl-3-isoxazolyl]methanone

IUPAC name

3-(1-cyclopentyl-1H-1234-tetrazol-5-yl)-1-[4-(methoxymethyl)-5-methyl-12-oxazole-3-carbonyl]-NN-dimethylpyrrolidin-3-amine

SMILES

Cc1c(COC)c(C(N(CC2)CC2(c2nnnn2C2CCCC2)N(C)C)=O)no1

InChI

InChI=1S/C19H29N7O3/c1-13-15(11-28-4)16(21-29-13)17(27)25-10-9-19(12-25,24(2)3)18-20-22-23-26(18)14-7-5-6-8-14/h14H,5-12H2,1-4H3/t19-/m0/s1

InChI Key

NXEAOIKUOVAXLI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32235629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.192

Distribution Coefficient, logD

1.185

Water Solubility, LogSw

-1.44

Polar Surface Area

89.538

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

SA21-0425 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 SA21-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA21-0425?
Check Price and Availability of SA21-0425, 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 SA21-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA21-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA21-0425
  • 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 SA21-0425 available by request