SB33-1412 Screening compound: 2-methoxy-N~1~-[(3S,4R)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(1,3-thiazol-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]acetamide

SB33-1412 Screening compound: 2-methoxy-N~1~-[(3S,4R)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(1,3-thiazol-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]acetamide
SB33-1412 Screening compound: 2-methoxy-N~1~-[(3S,4R)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(1,3-thiazol-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB33-1412
2-methoxy-N~1~-[(3S,4R)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(1,3-thiazol-4-ylcarbonyl)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

SB33-1412

Molecular Formula

C19H20N6O3S (C19 H20 N6 O3 S)

Compound Name

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

IUPAC name

2-methoxy-N-[(3S4R)-4-(3-phenyl-1H-124-triazol-5-yl)-1-(13-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide

SMILES

COCC(N[C@@H](CN(C1)C(c2cscn2)=O)[C@H]1c1nc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C19H20N6O3S/c1-28-9-16(26)21-14-8-25(19(27)15-10-29-11-20-15)7-13(14)18-22-17(23-24-18)12-5-3-2-4-6-12/h2-6,10-11,13-14H,7-9H2,1H3,(H,21,26)(H,22,23,24)/t13-,14-/m1/s1

InChI Key

CTSCKCFRPCCLRZ-ZIAGYGMSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.077

Distribution Coefficient, logD

1.072

Water Solubility, LogSw

-2.24

Polar Surface Area

93.080

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.58

SB33-1412 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 SB33-1412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-1412?
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What is the minimum amount of SB33-1412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-1412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-1412
  • 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 SB33-1412 available by request