SB35-0053 Screening compound: [(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl](3-thienyl)methanone

SB35-0053 Screening compound: [(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl](3-thienyl)methanone
SB35-0053 Screening compound: [(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl](3-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB35-0053
[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl](3-thienyl)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

SB35-0053

Molecular Formula

C12H12F2N4OS (C12 H12 F2 N4 OS)

Compound Name

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

IUPAC name

5-[(2S)-44-difluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-methyl-1H-124-triazole

SMILES

Cc1n[nH]c([C@H](CC(C2)(F)F)N2C(c2cscc2)=O)n1

InChI

InChI=1S/C12H12F2N4OS/c1-7-15-10(17-16-7)9-4-12(13,14)6-18(9)11(19)8-2-3-20-5-8/h2-3,5,9H,4,6H2,1H3,(H,15,16,17)/t9-/m0/s1

InChI Key

QQBVLNRZFFPIDO-VIFPVBQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.683

Distribution Coefficient, logD

1.683

Water Solubility, LogSw

-2.52

Polar Surface Area

51.296

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

SB35-0053 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with SB35-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB35-0053?
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What is the minimum amount of SB35-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB35-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB35-0053
  • 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 SB35-0053 available by request