SB34-1206 Screening compound: (3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl morpholino sulfone

SB34-1206 Screening compound: (3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl morpholino sulfone
SB34-1206 Screening compound: (3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl morpholino sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-1206
(3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl morpholino 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

SB34-1206

Molecular Formula

C17H28FN5O3S (C17 H28 FN5 O3 S)

Compound Name

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

IUPAC name

4-{[(3S4S)-3-(3-cyclohexyl-1H-124-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]sulfonyl}morpholine

SMILES

O=S(N(C[C@@H]1CF)C[C@@H]1c1nc(C2CCCCC2)n[nH]1)(N1CCOCC1)=O

InChI

InChI=1S/C17H28FN5O3S/c18-10-14-11-23(27(24,25)22-6-8-26-9-7-22)12-15(14)17-19-16(20-21-17)13-4-2-1-3-5-13/h13-15H,1-12H2,(H,19,20,21)/t14-,15-/m1/s1

InChI Key

ZBFDURZNZILVNW-HUUCEWRRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.487

Distribution Coefficient, logD

1.486

Water Solubility, LogSw

-2.33

Polar Surface Area

76.202

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

88.24

SB34-1206 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 SB34-1206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-1206?
Check Price and Availability of SB34-1206, 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 SB34-1206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-1206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-1206
  • 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 SB34-1206 available by request