SB35-0010 Screening compound: [(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-1H-pyrazol-5-yl)methanone

SB35-0010 Screening compound: [(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-1H-pyrazol-5-yl)methanone
SB35-0010 Screening compound: [(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-1H-pyrazol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB35-0010
[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-1H-pyrazol-5-yl)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

SB35-0010

Molecular Formula

C13H16F2N6O (C13 H16 F2 N6 O)

Compound Name

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

IUPAC name

5-[(2S)-1-(1-ethyl-1H-pyrazole-5-carbonyl)-44-difluoropyrrolidin-2-yl]-3-methyl-1H-124-triazole

SMILES

CCn1nccc1C(N(CC(C1)(F)F)[C@@H]1c1nc(C)n[nH]1)=O

InChI

InChI=1S/C13H16F2N6O/c1-3-21-9(4-5-16-21)12(22)20-7-13(14,15)6-10(20)11-17-8(2)18-19-11/h4-5,10H,3,6-7H2,1-2H3,(H,17,18,19)/t10-/m1/s1

InChI Key

JJPBKVIAAZWIRL-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.602

Distribution Coefficient, logD

0.601

Water Solubility, LogSw

-1.88

Polar Surface Area

63.367

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

SB35-0010 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB35-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB35-0010?
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What is the minimum amount of SB35-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB35-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB35-0010
  • 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 SB35-0010 available by request