SB29-0267 Screening compound: (2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl phenyl sulfone

SB29-0267 Screening compound: (2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl phenyl sulfone
SB29-0267 Screening compound: (2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl phenyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0267
(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl phenyl 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

SB29-0267

Molecular Formula

C20H22N4O3S (C20 H22 N4 O3 S)

Compound Name

(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl phenyl sulfone

IUPAC name

3-[(2S4S)-1-(benzenesulfonyl)-4-(benzyloxy)pyrrolidin-2-yl]-5-methyl-1H-124-triazole

SMILES

Cc1nc([C@H](C[C@@H](C2)OCc3ccccc3)N2S(c2ccccc2)(=O)=O)n[nH]1

InChI

InChI=1S/C20H22N4O3S/c1-15-21-20(23-22-15)19-12-17(27-14-16-8-4-2-5-9-16)13-24(19)28(25,26)18-10-6-3-7-11-18/h2-11,17,19H,12-14H2,1H3,(H,21,22,23)/t17-,19+/m1/s1

InChI Key

KDRJJJQSZKAZLT-MJGOQNOKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

2.752

Water Solubility, LogSw

-3.18

Polar Surface Area

72.859

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

SB29-0267 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB29-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0267?
Check Price and Availability of SB29-0267, 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 SB29-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0267
  • 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 SB29-0267 available by request