SB36-1450 Screening compound: 1-({(2S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

SB36-1450 Screening compound: 1-({(2S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
SB36-1450 Screening compound: 1-({(2S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1450
1-({(2S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-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

SB36-1450

Molecular Formula

C18H25F2N7O3 (C18 H25 F2 N7 O3)

Compound Name

1-({(2S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-44-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-123-triazole-4-carboxamide

SMILES

CCn1ncc(C(N(C2)[C@H](Cn3nnc(C(NCCOC)=O)c3)CC2(F)F)=O)c1C

InChI

InChI=1S/C18H25F2N7O3/c1-4-27-12(2)14(8-22-27)17(29)26-11-18(19,20)7-13(26)9-25-10-15(23-24-25)16(28)21-5-6-30-3/h8,10,13H,4-7,9,11H2,1-3H3,(H,21,28)/t13-/m1/s1

InChI Key

LQMWTDFMNNUKDH-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.200

Distribution Coefficient, logD

0.200

Water Solubility, LogSw

-1.40

Polar Surface Area

90.140

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SB36-1450 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB36-1450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1450?
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What is the minimum amount of SB36-1450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1450
  • 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 SB36-1450 available by request