SB34-1044 Screening compound: (3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (3-fluorophenyl) sulfone

SB34-1044 Screening compound: (3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (3-fluorophenyl) sulfone
SB34-1044 Screening compound: (3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (3-fluorophenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-1044
(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (3-fluorophenyl) 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

SB34-1044

Molecular Formula

C16H18F2N4O2S (C16 H18 F2 N4 O2 S)

Compound Name

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

IUPAC name

3-cyclopropyl-5-[(3S4S)-1-(3-fluorobenzenesulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-124-triazole

SMILES

O=S(c1cc(F)ccc1)(N(C[C@@H]1CF)C[C@@H]1c1nc(C2CC2)n[nH]1)=O

InChI

InChI=1S/C16H18F2N4O2S/c17-7-11-8-22(25(23,24)13-3-1-2-12(18)6-13)9-14(11)16-19-15(20-21-16)10-4-5-10/h1-3,6,10-11,14H,4-5,7-9H2,(H,19,20,21)/t11-,14-/m1/s1

InChI Key

DFXXLVQLUYTPSN-BXUZGUMPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.345

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-2.85

Polar Surface Area

66.219

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with SB34-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-1044?
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What is the minimum amount of SB34-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-1044
  • 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 SB34-1044 available by request