SB20-0991 Screening compound: N-benzyl-1-({(2S)-1-[(5-methyl-3-isoxazolyl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

SB20-0991 Screening compound: N-benzyl-1-({(2S)-1-[(5-methyl-3-isoxazolyl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
SB20-0991 Screening compound: N-benzyl-1-({(2S)-1-[(5-methyl-3-isoxazolyl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-0991
N-benzyl-1-({(2S)-1-[(5-methyl-3-isoxazolyl)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

SB20-0991

Molecular Formula

C20H22N6O3 (C20 H22 N6 O3)

Compound Name

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

IUPAC name

N-benzyl-1-{[(2S)-1-(5-methyl-12-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc1cc(C(N2[C@H](Cn3nnc(C(NCc4ccccc4)=O)c3)CCC2)=O)no1

InChI

InChI=1S/C20H22N6O3/c1-14-10-17(23-29-14)20(28)26-9-5-8-16(26)12-25-13-18(22-24-25)19(27)21-11-15-6-3-2-4-7-15/h2-4,6-7,10,13,16H,5,8-9,11-12H2,1H3,(H,21,27)/t16-/m0/s1

InChI Key

JZYPSRJPNPKZRS-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.669

Distribution Coefficient, logD

1.669

Water Solubility, LogSw

-1.99

Polar Surface Area

89.054

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

SB20-0991 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 SB20-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-0991?
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What is the minimum amount of SB20-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-0991
  • 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 SB20-0991 available by request