SB34-0243 Screening compound: (3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (1-methyl-1H-imidazol-4-yl) sulfone

SB34-0243 Screening compound: (3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (1-methyl-1H-imidazol-4-yl) sulfone
SB34-0243 Screening compound: (3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (1-methyl-1H-imidazol-4-yl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0243
(3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (1-methyl-1H-imidazol-4-yl) sulfone

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

SB34-0243

Molecular Formula

C17H25FN6O2S (C17 H25 FN6 O2 S)

Compound Name

(3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (1-methyl-1H-imidazol-4-yl) sulfone

IUPAC name

3-cyclohexyl-5-[(3S4S)-4-(fluoromethyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl]-1H-124-triazole

SMILES

Cn1cnc(S(N(C[C@@H]2CF)C[C@@H]2c2nc(C3CCCCC3)n[nH]2)(=O)=O)c1

InChI

InChI=1S/C17H25FN6O2S/c1-23-10-15(19-11-23)27(25,26)24-8-13(7-18)14(9-24)17-20-16(21-22-17)12-5-3-2-4-6-12/h10-14H,2-9H2,1H3,(H,20,21,22)/t13-,14-/m1/s1

InChI Key

IOHUEQCUAQPFFA-ZIAGYGMSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.574

Distribution Coefficient, logD

1.573

Water Solubility, LogSw

-2.53

Polar Surface Area

78.299

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.59

SB34-0243 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB34-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0243?
Check Price and Availability of SB34-0243, 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 SB34-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0243
  • 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 SB34-0243 available by request