SB18-1122 Screening compound: N-[(3S,5S)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

SB18-1122 Screening compound: N-[(3S,5S)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
SB18-1122 Screening compound: N-[(3S,5S)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB18-1122
N-[(3S,5S)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

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

SB18-1122

Molecular Formula

C19H22N6O4S (C19 H22 N6 O4 S)

Compound Name

N-[(3S,5S)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

IUPAC name

N-[(3S5S)-1-(35-dimethyl-12-oxazole-4-carbonyl)-5-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide

SMILES

Cc1noc(C)c1C(N(C[C@H](C1)NS(C)(=O)=O)[C@@H]1c1nc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C19H22N6O4S/c1-11-16(12(2)29-23-11)19(26)25-10-14(24-30(3,27)28)9-15(25)18-20-17(21-22-18)13-7-5-4-6-8-13/h4-8,14-15,24H,9-10H2,1-3H3,(H,20,21,22)/t14-,15+/m0/s1

InChI Key

BUBUYRBPKQXAFM-LSDHHAIUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.360

Distribution Coefficient, logD

1.354

Water Solubility, LogSw

-2.28

Polar Surface Area

115.154

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.84

References: we are preparing a list of scientific research reports with SB18-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-1122?
Check Price and Availability of SB18-1122, 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 SB18-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-1122
  • 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 SB18-1122 available by request