SA01-0874 Screening compound: 4-[1-(butane-1-sulfonyl)pyrrolidin-3-yl]-2-(dimethylamino)-N,N-dimethylpyrimidine-5-carboxamide

SA01-0874 Screening compound: 4-[1-(butane-1-sulfonyl)pyrrolidin-3-yl]-2-(dimethylamino)-N,N-dimethylpyrimidine-5-carboxamide
SA01-0874 Screening compound: 4-[1-(butane-1-sulfonyl)pyrrolidin-3-yl]-2-(dimethylamino)-N,N-dimethylpyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA01-0874
4-[1-(butane-1-sulfonyl)pyrrolidin-3-yl]-2-(dimethylamino)-N,N-dimethylpyrimidine-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

SA01-0874

Molecular Formula

C17H29N5O3S (C17 H29 N5 O3 S)

Compound Name

4-[1-(butane-1-sulfonyl)pyrrolidin-3-yl]-2-(dimethylamino)-N,N-dimethylpyrimidine-5-carboxamide

IUPAC name

4-[1-(butane-1-sulfonyl)pyrrolidin-3-yl]-2-(dimethylamino)-NN-dimethylpyrimidine-5-carboxamide

SMILES

CCCCS(N(CC1)CC1c1nc(N(C)C)ncc1C(N(C)C)=O)(=O)=O

InChI

InChI=1S/C17H29N5O3S/c1-6-7-10-26(24,25)22-9-8-13(12-22)15-14(16(23)20(2)3)11-18-17(19-15)21(4)5/h11,13H,6-10,12H2,1-5H3/t13-/m1/s1

InChI Key

JDUKLEJBHIXJIZ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD32234271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.023

Distribution Coefficient, logD

1.023

Water Solubility, LogSw

-2.02

Polar Surface Area

69.739

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

SA01-0874 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA01-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA01-0874?
Check Price and Availability of SA01-0874, 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 SA01-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA01-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA01-0874
  • 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 SA01-0874 available by request