SB21-0184 Screening compound: 1-{[(2S,4S)-1-(cyclohexylmethyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-N~4~-isopropyl-1H-1,2,3-triazole-4-carboxamide

SB21-0184 Screening compound: 1-{[(2S,4S)-1-(cyclohexylmethyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-N~4~-isopropyl-1H-1,2,3-triazole-4-carboxamide
SB21-0184 Screening compound: 1-{[(2S,4S)-1-(cyclohexylmethyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-N~4~-isopropyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-0184
1-{[(2S,4S)-1-(cyclohexylmethyl)-4-fluorotetrahydro-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

SB21-0184

Molecular Formula

C18H30FN5O (C18 H30 FN5 O)

Compound Name

1-{[(2S,4S)-1-(cyclohexylmethyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-N~4~-isopropyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S4S)-1-(cyclohexylmethyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-123-triazole-4-carboxamide

SMILES

CC(C)NC(c1cn(C[C@H](C2)N(CC3CCCCC3)C[C@H]2F)nn1)=O

InChI

InChI=1S/C18H30FN5O/c1-13(2)20-18(25)17-12-24(22-21-17)11-16-8-15(19)10-23(16)9-14-6-4-3-5-7-14/h12-16H,3-11H2,1-2H3,(H,20,25)/t15-,16+/m0/s1

InChI Key

IUFNKFOYJDBSPL-JKSUJKDBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.473

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-2.49

Polar Surface Area

54.447

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

83.33

SB21-0184 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB21-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-0184?
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What is the minimum amount of SB21-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-0184
  • 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 SB21-0184 available by request