SB36-1323 Screening compound: 1-({(2S)-1-[2-(4-ethoxyphenyl)acetyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide

SB36-1323 Screening compound: 1-({(2S)-1-[2-(4-ethoxyphenyl)acetyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
SB36-1323 Screening compound: 1-({(2S)-1-[2-(4-ethoxyphenyl)acetyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1323
1-({(2S)-1-[2-(4-ethoxyphenyl)acetyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-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

SB36-1323

Molecular Formula

C19H23F2N5O3 (C19 H23 F2 N5 O3)

Compound Name

1-({(2S)-1-[2-(4-ethoxyphenyl)acetyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S)-1-[2-(4-ethoxyphenyl)acetyl]-44-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-123-triazole-4-carboxamide

SMILES

CCOc1ccc(CC(N(C2)[C@H](Cn3nnc(C(NC)=O)c3)CC2(F)F)=O)cc1

InChI

InChI=1S/C19H23F2N5O3/c1-3-29-15-6-4-13(5-7-15)8-17(27)26-12-19(20,21)9-14(26)10-25-11-16(23-24-25)18(28)22-2/h4-7,11,14H,3,8-10,12H2,1-2H3,(H,22,28)/t14-/m1/s1

InChI Key

OEAQXLVOWFGAJG-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.367

Distribution Coefficient, logD

1.367

Water Solubility, LogSw

-2.07

Polar Surface Area

74.777

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

References: we are preparing a list of scientific research reports with SB36-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1323?
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What is the minimum amount of SB36-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1323
  • 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 SB36-1323 available by request