SB33-0957 Screening compound: N~2~-[(3S,4R)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-furamide

SB33-0957 Screening compound: N~2~-[(3S,4R)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-furamide
SB33-0957 Screening compound: N~2~-[(3S,4R)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB33-0957
N~2~-[(3S,4R)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-furamide

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

SB33-0957

Molecular Formula

C18H19N5O2 (C18 H19 N5 O2)

Compound Name

N~2~-[(3S,4R)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-furamide

IUPAC name

N-[(3S4R)-1-methyl-4-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]furan-2-carboxamide

SMILES

CN(C[C@@H]1c2nc(-c3ccccc3)n[nH]2)C[C@@H]1NC(c1ccco1)=O

InChI

InChI=1S/C18H19N5O2/c1-23-10-13(14(11-23)19-18(24)15-8-5-9-25-15)17-20-16(21-22-17)12-6-3-2-4-7-12/h2-9,13-14H,10-11H2,1H3,(H,19,24)(H,20,21,22)/t13-,14-/m0/s1

InChI Key

QHNKDAROHNHSCN-KBPBESRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.748

Distribution Coefficient, logD

0.157

Water Solubility, LogSw

-2.34

Polar Surface Area

70.568

Acid Dissociation Constant (pKa)

7.66

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.78

References: we are preparing a list of scientific research reports with SB33-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-0957?
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What is the minimum amount of SB33-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-0957
  • 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 SB33-0957 available by request