SB33-1398 Screening compound: 2-methoxy-N~1~-[(3S,4R)-1-[(6-methoxy-3-pyridyl)carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide

SB33-1398 Screening compound: 2-methoxy-N~1~-[(3S,4R)-1-[(6-methoxy-3-pyridyl)carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide
SB33-1398 Screening compound: 2-methoxy-N~1~-[(3S,4R)-1-[(6-methoxy-3-pyridyl)carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB33-1398
2-methoxy-N~1~-[(3S,4R)-1-[(6-methoxy-3-pyridyl)carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)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

SB33-1398

Molecular Formula

C22H24N6O4 (C22 H24 N6 O4)

Compound Name

2-methoxy-N~1~-[(3S,4R)-1-[(6-methoxy-3-pyridyl)carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide

IUPAC name

2-methoxy-N-[(3S4R)-1-(6-methoxypyridine-3-carbonyl)-4-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]acetamide

SMILES

COCC(N[C@@H](CN(C1)C(c(cc2)cnc2OC)=O)[C@H]1c1nc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C22H24N6O4/c1-31-13-18(29)24-17-12-28(22(30)15-8-9-19(32-2)23-10-15)11-16(17)21-25-20(26-27-21)14-6-4-3-5-7-14/h3-10,16-17H,11-13H2,1-2H3,(H,24,29)(H,25,26,27)/t16-,17-/m1/s1

InChI Key

BEMDHMCHGZXXDA-IAGOWNOFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.47

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

1.187

Distribution Coefficient, logD

1.182

Water Solubility, LogSw

-2.01

Polar Surface Area

100.033

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.82

SB33-1398 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB33-1398 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SB33-1398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-1398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-1398
  • 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 SB33-1398 available by request