SA04-0075 Screening compound: (4-{1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-2-methylpyrimidin-5-yl)methanol

SA04-0075 Screening compound: (4-{1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-2-methylpyrimidin-5-yl)methanol
SA04-0075 Screening compound: (4-{1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-2-methylpyrimidin-5-yl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound SA04-0075
(4-{1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-2-methylpyrimidin-5-yl)methanol

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

SA04-0075

Molecular Formula

C22H32N4O3 (C22 H32 N4 O3)

Compound Name

(4-{1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-2-methylpyrimidin-5-yl)methanol

IUPAC name

(4-{1-[1-(3-methoxypropyl)-25-dimethyl-1H-pyrrole-3-carbonyl]piperidin-3-yl}-2-methylpyrimidin-5-yl)methanol

SMILES

Cc1cc(C(N(CCC2)CC2c2nc(C)ncc2CO)=O)c(C)n1CCCOC

InChI

InChI=1S/C22H32N4O3/c1-15-11-20(16(2)26(15)9-6-10-29-4)22(28)25-8-5-7-18(13-25)21-19(14-27)12-23-17(3)24-21/h11-12,18,27H,5-10,13-14H2,1-4H3/t18-/m0/s1

InChI Key

LAWCVTLUXANSOS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32234130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.464

Distribution Coefficient, logD

1.464

Water Solubility, LogSw

-1.82

Polar Surface Area

63.654

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

SA04-0075 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)

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 SA04-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA04-0075?
Check Price and Availability of SA04-0075, 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 SA04-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA04-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA04-0075
  • 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 SA04-0075 available by request