SB21-1249 Screening compound: 1-{[(2S,4S)-4-fluoro-1-isopropyltetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

SB21-1249 Screening compound: 1-{[(2S,4S)-4-fluoro-1-isopropyltetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
SB21-1249 Screening compound: 1-{[(2S,4S)-4-fluoro-1-isopropyltetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1249
1-{[(2S,4S)-4-fluoro-1-isopropyltetrahydro-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

SB21-1249

Molecular Formula

C11H18FN5O (C11 H18 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C11H18FN5O/c1-7(2)17-4-8(12)3-9(17)5-16-6-10(11(13)18)14-15-16/h6-9H,3-5H2,1-2H3,(H2,13,18)/t8-,9+/m0/s1

InChI Key

RJDXIKAPLFNSOL-DTWKUNHWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.164

Distribution Coefficient, logD

0.042

Water Solubility, LogSw

-0.25

Polar Surface Area

64.812

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.73

SB21-1249 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with SB21-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1249?
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What is the minimum amount of SB21-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1249
  • 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 SB21-1249 available by request