SB21-1462 Screening compound: 1-{[(2S,4S)-4-fluoro-1-(3,4,5-trimethoxybenzyl)tetrahydro-1H-pyrrol-2-yl]methyl}-N~4~-isopropyl-1H-1,2,3-triazole-4-carboxamide

SB21-1462 Screening compound: 1-{[(2S,4S)-4-fluoro-1-(3,4,5-trimethoxybenzyl)tetrahydro-1H-pyrrol-2-yl]methyl}-N~4~-isopropyl-1H-1,2,3-triazole-4-carboxamide
SB21-1462 Screening compound: 1-{[(2S,4S)-4-fluoro-1-(3,4,5-trimethoxybenzyl)tetrahydro-1H-pyrrol-2-yl]methyl}-N~4~-isopropyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1462
1-{[(2S,4S)-4-fluoro-1-(3,4,5-trimethoxybenzyl)tetrahydro-1H-pyrrol-2-yl]methyl}-N~4~-isopropyl-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

SB21-1462

Molecular Formula

C21H30FN5O4 (C21 H30 FN5 O4)

Compound Name

1-{[(2S,4S)-4-fluoro-1-(3,4,5-trimethoxybenzyl)tetrahydro-1H-pyrrol-2-yl]methyl}-N~4~-isopropyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S4S)-4-fluoro-1-[(345-trimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-123-triazole-4-carboxamide

SMILES

CC(C)NC(c1cn(C[C@H](C2)N(Cc(cc3OC)cc(OC)c3OC)C[C@H]2F)nn1)=O

InChI

InChI=1S/C21H30FN5O4/c1-13(2)23-21(28)17-12-27(25-24-17)11-16-8-15(22)10-26(16)9-14-6-18(29-3)20(31-5)19(7-14)30-4/h6-7,12-13,15-16H,8-11H2,1-5H3,(H,23,28)/t15-,16+/m0/s1

InChI Key

IKSQGMQRJJBROI-JKSUJKDBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.345

Distribution Coefficient, logD

0.618

Water Solubility, LogSw

-2.12

Polar Surface Area

77.233

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.14

References: we are preparing a list of scientific research reports with SB21-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1462?
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What is the minimum amount of SB21-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1462
  • 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 SB21-1462 available by request