SB36-0517 Screening compound: [1-({(2S)-4,4-difluoro-1-[(1-methyl-1H-pyrrol-2-yl)methyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone

SB36-0517 Screening compound: [1-({(2S)-4,4-difluoro-1-[(1-methyl-1H-pyrrol-2-yl)methyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone
SB36-0517 Screening compound: [1-({(2S)-4,4-difluoro-1-[(1-methyl-1H-pyrrol-2-yl)methyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-0517
[1-({(2S)-4,4-difluoro-1-[(1-methyl-1H-pyrrol-2-yl)methyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone

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

SB36-0517

Molecular Formula

C18H24F2N6O (C18 H24 F2 N6 O)

Compound Name

[1-({(2S)-4,4-difluoro-1-[(1-methyl-1H-pyrrol-2-yl)methyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone

IUPAC name

1-{[(2S)-44-difluoro-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-2-yl]methyl}-4-(pyrrolidine-1-carbonyl)-1H-123-triazole

SMILES

Cn1c(CN(C2)[C@H](Cn3nnc(C(N4CCCC4)=O)c3)CC2(F)F)ccc1

InChI

InChI=1S/C18H24F2N6O/c1-23-6-4-5-14(23)10-25-13-18(19,20)9-15(25)11-26-12-16(21-22-26)17(27)24-7-2-3-8-24/h4-6,12,15H,2-3,7-11,13H2,1H3/t15-/m1/s1

InChI Key

IXXLQADREFHSMX-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.530

Distribution Coefficient, logD

1.530

Water Solubility, LogSw

-1.69

Polar Surface Area

50.508

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SB36-0517 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB36-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-0517?
Check Price and Availability of SB36-0517, 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 SB36-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-0517
  • 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 SB36-0517 available by request