SB21-1165 Screening compound: ((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(1-methyl-1H-indazol-3-yl)methanone

SB21-1165 Screening compound: ((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(1-methyl-1H-indazol-3-yl)methanone
SB21-1165 Screening compound: ((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(1-methyl-1H-indazol-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1165
((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(1-methyl-1H-indazol-3-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

SB21-1165

Molecular Formula

C21H24FN7O2 (C21 H24 FN7 O2)

Compound Name

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

IUPAC name

3-[(2S4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-123-triazol-1-yl]methyl}pyrrolidine-1-carbonyl]-1-methyl-1H-indazole

SMILES

Cn1nc(C(N(C2)[C@H](Cn3nnc(C(N4CCCC4)=O)c3)C[C@@H]2F)=O)c2c1cccc2

InChI

InChI=1S/C21H24FN7O2/c1-26-18-7-3-2-6-16(18)19(24-26)21(31)29-11-14(22)10-15(29)12-28-13-17(23-25-28)20(30)27-8-4-5-9-27/h2-3,6-7,13-15H,4-5,8-12H2,1H3/t14-,15+/m0/s1

InChI Key

XMMYHOGROHNAKV-LSDHHAIUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.020

Distribution Coefficient, logD

1.020

Water Solubility, LogSw

-1.78

Polar Surface Area

74.896

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.62

SB21-1165 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB21-1165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1165?
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What is the minimum amount of SB21-1165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1165
  • 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 SB21-1165 available by request