SB21-1421 Screening compound: 2,3-dihydro-1H-indol-1-yl(1-{[(2S,4S)-4-fluoro-1-(3-pyridylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone

SB21-1421 Screening compound: 2,3-dihydro-1H-indol-1-yl(1-{[(2S,4S)-4-fluoro-1-(3-pyridylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone
SB21-1421 Screening compound: 2,3-dihydro-1H-indol-1-yl(1-{[(2S,4S)-4-fluoro-1-(3-pyridylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1421
2,3-dihydro-1H-indol-1-yl(1-{[(2S,4S)-4-fluoro-1-(3-pyridylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone

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

SB21-1421

Molecular Formula

C22H21FN6O2 (C22 H21 FN6 O2)

Compound Name

2,3-dihydro-1H-indol-1-yl(1-{[(2S,4S)-4-fluoro-1-(3-pyridylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone

IUPAC name

1-(1-{[(2S4S)-4-fluoro-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-123-triazole-4-carbonyl)-23-dihydro-1H-indole

SMILES

O=C(c1cn(C[C@H](C[C@@H](C2)F)N2C(c2cnccc2)=O)nn1)N(CC1)c2c1cccc2

InChI

InChI=1S/C22H21FN6O2/c23-17-10-18(29(12-17)21(30)16-5-3-8-24-11-16)13-27-14-19(25-26-27)22(31)28-9-7-15-4-1-2-6-20(15)28/h1-6,8,11,14,17-18H,7,9-10,12-13H2/t17-,18+/m0/s1

InChI Key

IOODRZIKTKWGFU-ZWKOTPCHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.285

Distribution Coefficient, logD

1.285

Water Solubility, LogSw

-0.95

Polar Surface Area

68.542

Acid Dissociation Constant (pKa)

24.39

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.82

References: we are preparing a list of scientific research reports with SB21-1421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1421?
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What is the minimum amount of SB21-1421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1421
  • 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 SB21-1421 available by request