SB21-0945 Screening compound: 1-{[(2S,4S)-4-fluoro-1-isopentyltetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

SB21-0945 Screening compound: 1-{[(2S,4S)-4-fluoro-1-isopentyltetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
SB21-0945 Screening compound: 1-{[(2S,4S)-4-fluoro-1-isopentyltetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-0945
1-{[(2S,4S)-4-fluoro-1-isopentyltetrahydro-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

SB21-0945

Molecular Formula

C13H22FN5O (C13 H22 FN5 O)

Compound Name

1-{[(2S,4S)-4-fluoro-1-isopentyltetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S4S)-4-fluoro-1-(3-methylbutyl)pyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

CC(C)CCN(C1)[C@H](Cn2nnc(C(N)=O)c2)C[C@@H]1F

InChI

InChI=1S/C13H22FN5O/c1-9(2)3-4-18-6-10(14)5-11(18)7-19-8-12(13(15)20)16-17-19/h8-11H,3-7H2,1-2H3,(H2,15,20)/t10-,11+/m0/s1

InChI Key

DVMWLIAMMAGOEQ-WDEREUQCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.865

Distribution Coefficient, logD

0.817

Water Solubility, LogSw

-0.64

Polar Surface Area

64.904

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

76.92

References: we are preparing a list of scientific research reports with SB21-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-0945?
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What is the minimum amount of SB21-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-0945
  • 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 SB21-0945 available by request