SB29-0174 Screening compound: 2-chlorobenzyl [(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl] sulfone

SB29-0174 Screening compound: 2-chlorobenzyl [(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl] sulfone
SB29-0174 Screening compound: 2-chlorobenzyl [(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0174
2-chlorobenzyl [(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-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

SB29-0174

Molecular Formula

C15H19ClN4O3S (C15 H19 ClN4 O3 S)

Compound Name

2-chlorobenzyl [(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl] sulfone

IUPAC name

3-[(2S4S)-1-[(2-chlorophenyl)methanesulfonyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-124-triazole

SMILES

Cc1nc([C@H](C[C@@H](C2)OC)N2S(Cc(cccc2)c2Cl)(=O)=O)n[nH]1

InChI

InChI=1S/C15H19ClN4O3S/c1-10-17-15(19-18-10)14-7-12(23-2)8-20(14)24(21,22)9-11-5-3-4-6-13(11)16/h3-6,12,14H,7-9H2,1-2H3,(H,17,18,19)/t12-,14+/m1/s1

InChI Key

QFJVTAKAWMUOLX-OCCSQVGLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.928

Distribution Coefficient, logD

1.926

Water Solubility, LogSw

-2.72

Polar Surface Area

73.069

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.67

SB29-0174 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with SB29-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0174?
Check Price and Availability of SB29-0174, 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 SB29-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0174
  • 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 SB29-0174 available by request