SB33-0563 Screening compound: 2-methoxy-N~1~-{(3S,4R)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}acetamide

SB33-0563 Screening compound: 2-methoxy-N~1~-{(3S,4R)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}acetamide
SB33-0563 Screening compound: 2-methoxy-N~1~-{(3S,4R)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB33-0563
2-methoxy-N~1~-{(3S,4R)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}acetamide

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

SB33-0563

Molecular Formula

C22H27N7O3 (C22 H27 N7 O3)

Compound Name

2-methoxy-N~1~-{(3S,4R)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}acetamide

IUPAC name

2-methoxy-N-[(3S4R)-4-(3-phenyl-1H-124-triazol-5-yl)-1-(135-trimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide

SMILES

Cc1c(C(N(C[C@@H]2c3nc(-c4ccccc4)n[nH]3)C[C@@H]2NC(COC)=O)=O)c(C)nn1C

InChI

InChI=1S/C22H27N7O3/c1-13-19(14(2)28(3)27-13)22(31)29-10-16(17(11-29)23-18(30)12-32-4)21-24-20(25-26-21)15-8-6-5-7-9-15/h5-9,16-17H,10-12H2,1-4H3,(H,23,30)(H,24,25,26)/t16-,17-/m1/s1

InChI Key

SJHGOIYQGOCYFQ-IAGOWNOFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.238

Distribution Coefficient, logD

0.233

Water Solubility, LogSw

-1.98

Polar Surface Area

98.291

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with SB33-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-0563?
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What is the minimum amount of SB33-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-0563
  • 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 SB33-0563 available by request