SB35-0055 Screening compound: 3-cyclopentyl-1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-1-propanone

SB35-0055 Screening compound: 3-cyclopentyl-1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-1-propanone
SB35-0055 Screening compound: 3-cyclopentyl-1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB35-0055
3-cyclopentyl-1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-1-propanone

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

SB35-0055

Molecular Formula

C15H22F2N4O (C15 H22 F2 N4 O)

Compound Name

3-cyclopentyl-1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-1-propanone

IUPAC name

3-cyclopentyl-1-[(2S)-44-difluoro-2-(3-methyl-1H-124-triazol-5-yl)pyrrolidin-1-yl]propan-1-one

SMILES

Cc1n[nH]c([C@H](CC(C2)(F)F)N2C(CCC2CCCC2)=O)n1

InChI

InChI=1S/C15H22F2N4O/c1-10-18-14(20-19-10)12-8-15(16,17)9-21(12)13(22)7-6-11-4-2-3-5-11/h11-12H,2-9H2,1H3,(H,18,19,20)/t12-/m1/s1

InChI Key

PRYAAHGYHQSQMG-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.374

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-2.39

Polar Surface Area

50.309

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

SB35-0055 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Natural-Product-Based Library (3730 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with SB35-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB35-0055?
Check Price and Availability of SB35-0055, 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 SB35-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB35-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB35-0055
  • 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 SB35-0055 available by request