SA01-0721 Screening compound: 2-(dimethylamino)-4-[1-(4-phenylbutanoyl)pyrrolidin-3-yl]-N-(propan-2-yl)pyrimidine-5-carboxamide

SA01-0721 Screening compound: 2-(dimethylamino)-4-[1-(4-phenylbutanoyl)pyrrolidin-3-yl]-N-(propan-2-yl)pyrimidine-5-carboxamide
SA01-0721 Screening compound: 2-(dimethylamino)-4-[1-(4-phenylbutanoyl)pyrrolidin-3-yl]-N-(propan-2-yl)pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA01-0721
2-(dimethylamino)-4-[1-(4-phenylbutanoyl)pyrrolidin-3-yl]-N-(propan-2-yl)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

SA01-0721

Molecular Formula

C24H33N5O2 (C24 H33 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(c1c(C(CC2)CN2C(CCCc2ccccc2)=O)nc(N(C)C)nc1)=O

InChI

InChI=1S/C24H33N5O2/c1-17(2)26-23(31)20-15-25-24(28(3)4)27-22(20)19-13-14-29(16-19)21(30)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,15,17,19H,8,11-14,16H2,1-4H3,(H,26,31)/t19-/m0/s1

InChI Key

SYLNPYWESOSLRH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32234365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

3.763

Water Solubility, LogSw

-3.82

Polar Surface Area

61.641

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA01-0721 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA01-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA01-0721?
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What is the minimum amount of SA01-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA01-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA01-0721
  • 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 SA01-0721 available by request