SB33-1429 Screening compound: N~1~-[(3S,4R)-1-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

SB33-1429 Screening compound: N~1~-[(3S,4R)-1-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide
SB33-1429 Screening compound: N~1~-[(3S,4R)-1-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-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 SB33-1429
N~1~-[(3S,4R)-1-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-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

SB33-1429

Molecular Formula

C22H26N6O4 (C22 H26 N6 O4)

Compound Name

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

IUPAC name

N-[(3S4R)-1-[2-(35-dimethyl-12-oxazol-4-yl)acetyl]-4-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide

SMILES

Cc1noc(C)c1CC(N(C[C@@H]1c2nc(-c3ccccc3)n[nH]2)C[C@@H]1NC(COC)=O)=O

InChI

InChI=1S/C22H26N6O4/c1-13-16(14(2)32-27-13)9-20(30)28-10-17(18(11-28)23-19(29)12-31-3)22-24-21(25-26-22)15-7-5-4-6-8-15/h4-8,17-18H,9-12H2,1-3H3,(H,23,29)(H,24,25,26)/t17-,18-/m1/s1

InChI Key

BLSOSIGHMQDKLA-QZTJIDSGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.158

Distribution Coefficient, logD

1.153

Water Solubility, LogSw

-2.13

Polar Surface Area

104.962

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with SB33-1429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-1429?
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What is the minimum amount of SB33-1429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-1429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-1429
  • 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 SB33-1429 available by request