SB34-0042 Screening compound: 1-ethyl-3-{[(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-1H-indole

SB34-0042 Screening compound: 1-ethyl-3-{[(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-1H-indole
SB34-0042 Screening compound: 1-ethyl-3-{[(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0042
1-ethyl-3-{[(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-1H-indole

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

SB34-0042

Molecular Formula

C19H24FN5 (C19 H24 FN5)

Compound Name

1-ethyl-3-{[(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-1H-indole

IUPAC name

1-ethyl-3-{[(3S4S)-3-(fluoromethyl)-4-(3-methyl-1H-124-triazol-5-yl)pyrrolidin-1-yl]methyl}-1H-indole

SMILES

CCn1c(cccc2)c2c(CN(C[C@@H]2CF)C[C@@H]2c2nc(C)n[nH]2)c1

InChI

InChI=1S/C19H24FN5/c1-3-25-11-15(16-6-4-5-7-18(16)25)10-24-9-14(8-20)17(12-24)19-21-13(2)22-23-19/h4-7,11,14,17H,3,8-10,12H2,1-2H3,(H,21,22,23)/t14-,17-/m0/s1

InChI Key

XQMZVUXIFLWEDF-YOEHRIQHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.130

Distribution Coefficient, logD

-3.229

Water Solubility, LogSw

-2.42

Polar Surface Area

39.330

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

12.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.37

SB34-0042 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SB34-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0042?
Check Price and Availability of SB34-0042, 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 SB34-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0042
  • 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 SB34-0042 available by request