SA01-0971 Screening compound: 4-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-2-(dimethylamino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide

SA01-0971 Screening compound: 4-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-2-(dimethylamino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide
SA01-0971 Screening compound: 4-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-2-(dimethylamino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA01-0971
4-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-2-(dimethylamino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide

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

SA01-0971

Molecular Formula

C21H33N5O3 (C21 H33 N5 O3)

Compound Name

4-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-2-(dimethylamino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide

IUPAC name

4-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-2-(dimethylamino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide

SMILES

CN(C)c(nc1)nc(C(CC2)CN2C(CC2CCCC2)=O)c1C(NCCOC)=O

InChI

InChI=1S/C21H33N5O3/c1-25(2)21-23-13-17(20(28)22-9-11-29-3)19(24-21)16-8-10-26(14-16)18(27)12-15-6-4-5-7-15/h13,15-16H,4-12,14H2,1-3H3,(H,22,28)/t16-/m0/s1

InChI Key

HQKJVDHXTRKGLW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32233694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.270

Distribution Coefficient, logD

2.270

Water Solubility, LogSw

-2.71

Polar Surface Area

71.409

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

SA01-0971 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA01-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA01-0971?
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What is the minimum amount of SA01-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA01-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA01-0971
  • 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 SA01-0971 available by request