SB20-1503 Screening compound: N-cyclopentyl-1-({(2S)-1-[(2,5-difluoroanilino)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

SB20-1503 Screening compound: N-cyclopentyl-1-({(2S)-1-[(2,5-difluoroanilino)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
SB20-1503 Screening compound: N-cyclopentyl-1-({(2S)-1-[(2,5-difluoroanilino)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-1503
N-cyclopentyl-1-({(2S)-1-[(2,5-difluoroanilino)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

SB20-1503

Molecular Formula

C20H24F2N6O2 (C20 H24 F2 N6 O2)

Compound Name

N-cyclopentyl-1-({(2S)-1-[(2,5-difluoroanilino)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-cyclopentyl-1-{[(2S)-1-[(25-difluorophenyl)carbamoyl]pyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

O=C(c1cn(C[C@H](CCC2)N2C(Nc(cc(cc2)F)c2F)=O)nn1)NC1CCCC1

InChI

InChI=1S/C20H24F2N6O2/c21-13-7-8-16(22)17(10-13)24-20(30)28-9-3-6-15(28)11-27-12-18(25-26-27)19(29)23-14-4-1-2-5-14/h7-8,10,12,14-15H,1-6,9,11H2,(H,23,29)(H,24,30)/t15-/m0/s1

InChI Key

QARXSLXBUIANSC-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.867

Distribution Coefficient, logD

2.867

Water Solubility, LogSw

-3.19

Polar Surface Area

76.040

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SB20-1503 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB20-1503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-1503?
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What is the minimum amount of SB20-1503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-1503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-1503
  • 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 SB20-1503 available by request