SB33-0566 Screening compound: N~1~-[(3S,4R)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

SB33-0566 Screening compound: N~1~-[(3S,4R)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide
SB33-0566 Screening compound: N~1~-[(3S,4R)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB33-0566
N~1~-[(3S,4R)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

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

SB33-0566

Molecular Formula

C21H25N7O3 (C21 H25 N7 O3)

Compound Name

N~1~-[(3S,4R)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

IUPAC name

N-[(3S4R)-1-(13-dimethyl-1H-pyrazole-5-carbonyl)-4-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide

SMILES

Cc1nn(C)c(C(N(C[C@@H]2c3nc(-c4ccccc4)n[nH]3)C[C@@H]2NC(COC)=O)=O)c1

InChI

InChI=1S/C21H25N7O3/c1-13-9-17(27(2)26-13)21(30)28-10-15(16(11-28)22-18(29)12-31-3)20-23-19(24-25-20)14-7-5-4-6-8-14/h4-9,15-16H,10-12H2,1-3H3,(H,22,29)(H,23,24,25)/t15-,16-/m1/s1

InChI Key

JUNAYPLRZIOLGA-HZPDHXFCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

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

0.380

Distribution Coefficient, logD

0.376

Water Solubility, LogSw

-2.15

Polar Surface Area

96.774

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with SB33-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-0566?
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What is the minimum amount of SB33-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-0566
  • 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 SB33-0566 available by request