SB54-1072 Screening compound: 2-[(3S,4S)-1-[(4-chlorobenzyl)sulfonyl]-4-(methoxymethyl)tetrahydro-1H-pyrrol-3-yl]-5-phenyl-1,3,4-oxadiazole

SB54-1072 Screening compound: 2-[(3S,4S)-1-[(4-chlorobenzyl)sulfonyl]-4-(methoxymethyl)tetrahydro-1H-pyrrol-3-yl]-5-phenyl-1,3,4-oxadiazole
SB54-1072 Screening compound: 2-[(3S,4S)-1-[(4-chlorobenzyl)sulfonyl]-4-(methoxymethyl)tetrahydro-1H-pyrrol-3-yl]-5-phenyl-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB54-1072
2-[(3S,4S)-1-[(4-chlorobenzyl)sulfonyl]-4-(methoxymethyl)tetrahydro-1H-pyrrol-3-yl]-5-phenyl-1,3,4-oxadiazole

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

SB54-1072

Molecular Formula

C21H22ClN3O4S (C21 H22 ClN3 O4 S)

Compound Name

2-[(3S,4S)-1-[(4-chlorobenzyl)sulfonyl]-4-(methoxymethyl)tetrahydro-1H-pyrrol-3-yl]-5-phenyl-1,3,4-oxadiazole

IUPAC name

2-[(3S4S)-1-[(4-chlorophenyl)methanesulfonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-5-phenyl-134-oxadiazole

SMILES

COC[C@@H](CN(C1)S(Cc(cc2)ccc2Cl)(=O)=O)[C@H]1c1nnc(-c2ccccc2)o1

InChI

InChI=1S/C21H22ClN3O4S/c1-28-13-17-11-25(30(26,27)14-15-7-9-18(22)10-8-15)12-19(17)21-24-23-20(29-21)16-5-3-2-4-6-16/h2-10,17,19H,11-14H2,1H3/t17-,19+/m0/s1

InChI Key

VGQWFLGFZZOOQD-PKOBYXMFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.240

Distribution Coefficient, logD

3.240

Water Solubility, LogSw

-3.74

Polar Surface Area

70.744

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

-4.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

SB54-1072 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SB54-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB54-1072?
Check Price and Availability of SB54-1072, 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 SB54-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB54-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB54-1072
  • 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 SB54-1072 available by request