SA01-0248 Screening compound: 2-(dimethylamino)-4-(1-methanesulfonylpyrrolidin-3-yl)-N-[2-(morpholin-4-yl)ethyl]pyrimidine-5-carboxamide

SA01-0248 Screening compound: 2-(dimethylamino)-4-(1-methanesulfonylpyrrolidin-3-yl)-N-[2-(morpholin-4-yl)ethyl]pyrimidine-5-carboxamide
SA01-0248 Screening compound: 2-(dimethylamino)-4-(1-methanesulfonylpyrrolidin-3-yl)-N-[2-(morpholin-4-yl)ethyl]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA01-0248
2-(dimethylamino)-4-(1-methanesulfonylpyrrolidin-3-yl)-N-[2-(morpholin-4-yl)ethyl]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

SA01-0248

Molecular Formula

C18H30N6O4S (C18 H30 N6 O4 S)

Compound Name

2-(dimethylamino)-4-(1-methanesulfonylpyrrolidin-3-yl)-N-[2-(morpholin-4-yl)ethyl]pyrimidine-5-carboxamide

IUPAC name

2-(dimethylamino)-4-(1-methanesulfonylpyrrolidin-3-yl)-N-[2-(morpholin-4-yl)ethyl]pyrimidine-5-carboxamide

SMILES

CN(C)c1ncc(C(NCCN2CCOCC2)=O)c(C(CC2)CN2S(C)(=O)=O)n1

InChI

InChI=1S/C18H30N6O4S/c1-22(2)18-20-12-15(17(25)19-5-7-23-8-10-28-11-9-23)16(21-18)14-4-6-24(13-14)29(3,26)27/h12,14H,4-11,13H2,1-3H3,(H,19,25)/t14-/m1/s1

InChI Key

XLMZBCJKLCXIFJ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32233286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.045

Distribution Coefficient, logD

0.030

Water Solubility, LogSw

-2.19

Polar Surface Area

89.482

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

SA01-0248 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SA01-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA01-0248?
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What is the minimum amount of SA01-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA01-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA01-0248
  • 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 SA01-0248 available by request