SB20-1040 Screening compound: N-benzyl-1-{[(2S)-1-(3-phenylpropyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

SB20-1040 Screening compound: N-benzyl-1-{[(2S)-1-(3-phenylpropyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
SB20-1040 Screening compound: N-benzyl-1-{[(2S)-1-(3-phenylpropyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-1040
N-benzyl-1-{[(2S)-1-(3-phenylpropyl)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

SB20-1040

Molecular Formula

C24H29N5O (C24 H29 N5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cn(C[C@H]2N(CCCc3ccccc3)CCC2)nn1)NCc1ccccc1

InChI

InChI=1S/C24H29N5O/c30-24(25-17-21-11-5-2-6-12-21)23-19-29(27-26-23)18-22-14-8-16-28(22)15-7-13-20-9-3-1-4-10-20/h1-6,9-12,19,22H,7-8,13-18H2,(H,25,30)/t22-/m0/s1

InChI Key

YCBWIYPZAXXEQR-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.642

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.74

Polar Surface Area

55.054

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

SB20-1040 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with SB20-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-1040?
Check Price and Availability of SB20-1040, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB20-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-1040
  • 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 SB20-1040 available by request