SB21-1700 Screening compound: N~4~-benzyl-1-({(2S,4S)-4-fluoro-1-[(6-methyl-2-pyridyl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

SB21-1700 Screening compound: N~4~-benzyl-1-({(2S,4S)-4-fluoro-1-[(6-methyl-2-pyridyl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
SB21-1700 Screening compound: N~4~-benzyl-1-({(2S,4S)-4-fluoro-1-[(6-methyl-2-pyridyl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1700
N~4~-benzyl-1-({(2S,4S)-4-fluoro-1-[(6-methyl-2-pyridyl)carbonyl]tetrahydro-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

SB21-1700

Molecular Formula

C22H23FN6O2 (C22 H23 FN6 O2)

Compound Name

N~4~-benzyl-1-({(2S,4S)-4-fluoro-1-[(6-methyl-2-pyridyl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-benzyl-1-{[(2S4S)-4-fluoro-1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc1cccc(C(N(C2)[C@H](Cn3nnc(C(NCc4ccccc4)=O)c3)C[C@@H]2F)=O)n1

InChI

InChI=1S/C22H23FN6O2/c1-15-6-5-9-19(25-15)22(31)29-12-17(23)10-18(29)13-28-14-20(26-27-28)21(30)24-11-16-7-3-2-4-8-16/h2-9,14,17-18H,10-13H2,1H3,(H,24,30)/t17-,18+/m0/s1

InChI Key

UYVDBGCNQSSFBW-ZWKOTPCHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.763

Distribution Coefficient, logD

1.763

Water Solubility, LogSw

-1.76

Polar Surface Area

76.181

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.82

SB21-1700 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB21-1700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1700?
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What is the minimum amount of SB21-1700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1700
  • 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 SB21-1700 available by request