SB35-1110 Screening compound: 4-{[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}phenyl isopropyl ether

SB35-1110 Screening compound: 4-{[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}phenyl isopropyl ether
SB35-1110 Screening compound: 4-{[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}phenyl isopropyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound SB35-1110
4-{[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}phenyl isopropyl ether

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

SB35-1110

Molecular Formula

C17H22F2N4O (C17 H22 F2 N4 O)

Compound Name

4-{[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}phenyl isopropyl ether

IUPAC name

5-[(2S)-44-difluoro-1-{[4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-2-yl]-3-methyl-1H-124-triazole

SMILES

CC(C)Oc1ccc(CN(CC(C2)(F)F)[C@@H]2c2nc(C)n[nH]2)cc1

InChI

InChI=1S/C17H22F2N4O/c1-11(2)24-14-6-4-13(5-7-14)9-23-10-17(18,19)8-15(23)16-20-12(3)21-22-16/h4-7,11,15H,8-10H2,1-3H3,(H,20,21,22)/t15-/m1/s1

InChI Key

QHBFKJGOQCUJNA-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.38

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

2.853

Distribution Coefficient, logD

2.852

Water Solubility, LogSw

-3.18

Polar Surface Area

44.330

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

SB35-1110 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB35-1110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB35-1110?
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What is the minimum amount of SB35-1110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB35-1110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB35-1110
  • 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 SB35-1110 available by request