SB20-0994 Screening compound: N-benzyl-1-{[(2S)-1-(3,4-dimethylbenzoyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

SB20-0994 Screening compound: N-benzyl-1-{[(2S)-1-(3,4-dimethylbenzoyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
SB20-0994 Screening compound: N-benzyl-1-{[(2S)-1-(3,4-dimethylbenzoyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-0994
N-benzyl-1-{[(2S)-1-(3,4-dimethylbenzoyl)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

SB20-0994

Molecular Formula

C24H27N5O2 (C24 H27 N5 O2)

Compound Name

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

IUPAC name

N-benzyl-1-{[(2S)-1-(34-dimethylbenzoyl)pyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc(cc1)c(C)cc1C(N1[C@H](Cn2nnc(C(NCc3ccccc3)=O)c2)CCC1)=O

InChI

InChI=1S/C24H27N5O2/c1-17-10-11-20(13-18(17)2)24(31)29-12-6-9-21(29)15-28-16-22(26-27-28)23(30)25-14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,16,21H,6,9,12,14-15H2,1-2H3,(H,25,30)/t21-/m0/s1

InChI Key

ABXJFXUKDGGNDB-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.209

Distribution Coefficient, logD

3.209

Water Solubility, LogSw

-3.13

Polar Surface Area

67.825

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

SB20-0994 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 SB20-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-0994?
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What is the minimum amount of SB20-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-0994
  • 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 SB20-0994 available by request