SB21-1344 Screening compound: 1-[((2S,4S)-1-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-4-fluorotetrahydro-1H-pyrrol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

SB21-1344 Screening compound: 1-[((2S,4S)-1-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-4-fluorotetrahydro-1H-pyrrol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
SB21-1344 Screening compound: 1-[((2S,4S)-1-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-4-fluorotetrahydro-1H-pyrrol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1344
1-[((2S,4S)-1-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-4-fluorotetrahydro-1H-pyrrol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

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

SB21-1344

Molecular Formula

C13H16F3N7O3S (C13 H16 F3 N7 O3 S)

Compound Name

1-[((2S,4S)-1-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-4-fluorotetrahydro-1H-pyrrol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S4S)-1-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-4-fluoropyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc(n(C(F)F)nc1)c1S(N(C1)[C@H](Cn2nnc(C(N)=O)c2)C[C@@H]1F)(=O)=O

InChI

InChI=1S/C13H16F3N7O3S/c1-7-11(3-18-23(7)13(15)16)27(25,26)22-4-8(14)2-9(22)5-21-6-10(12(17)24)19-20-21/h3,6,8-9,13H,2,4-5H2,1H3,(H2,17,24)/t8-,9+/m1/s1

InChI Key

TVMQQDYHLRKDTB-BDAKNGLRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.023

Distribution Coefficient, logD

-1.023

Water Solubility, LogSw

-1.04

Polar Surface Area

106.830

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.85

References: we are preparing a list of scientific research reports with SB21-1344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1344?
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What is the minimum amount of SB21-1344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1344
  • 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 SB21-1344 available by request