SB54-1038 Screening compound: 2-[(3S,4S)-1-[(3,5-difluorophenyl)sulfonyl]-4-(methoxymethyl)tetrahydro-1H-pyrrol-3-yl]-5-phenyl-1,3,4-oxadiazole

SB54-1038 Screening compound: 2-[(3S,4S)-1-[(3,5-difluorophenyl)sulfonyl]-4-(methoxymethyl)tetrahydro-1H-pyrrol-3-yl]-5-phenyl-1,3,4-oxadiazole
SB54-1038 Screening compound: 2-[(3S,4S)-1-[(3,5-difluorophenyl)sulfonyl]-4-(methoxymethyl)tetrahydro-1H-pyrrol-3-yl]-5-phenyl-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB54-1038
2-[(3S,4S)-1-[(3,5-difluorophenyl)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

SB54-1038

Molecular Formula

C20H19F2N3O4S (C20 H19 F2 N3 O4 S)

Compound Name

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

IUPAC name

2-[(3S4S)-1-(35-difluorobenzenesulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-5-phenyl-134-oxadiazole

SMILES

COC[C@@H](CN(C1)S(c2cc(F)cc(F)c2)(=O)=O)[C@H]1c1nnc(-c2ccccc2)o1

InChI

InChI=1S/C20H19F2N3O4S/c1-28-12-14-10-25(30(26,27)17-8-15(21)7-16(22)9-17)11-18(14)20-24-23-19(29-20)13-5-3-2-4-6-13/h2-9,14,18H,10-12H2,1H3/t14-,18+/m0/s1

InChI Key

KCKNUEHLKKAJHP-KBXCAEBGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-3.57

Polar Surface Area

70.850

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

SB54-1038 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 SB54-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB54-1038?
Check Price and Availability of SB54-1038, 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 SB54-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB54-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB54-1038
  • 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 SB54-1038 available by request