SB36-0733 Screening compound: 1-({(2S)-4,4-difluoro-1-[(1-methyl-1H-imidazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

SB36-0733 Screening compound: 1-({(2S)-4,4-difluoro-1-[(1-methyl-1H-imidazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
SB36-0733 Screening compound: 1-({(2S)-4,4-difluoro-1-[(1-methyl-1H-imidazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-0733
1-({(2S)-4,4-difluoro-1-[(1-methyl-1H-imidazol-4-yl)carbonyl]tetrahydro-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

SB36-0733

Molecular Formula

C16H21F2N7O3 (C16 H21 F2 N7 O3)

Compound Name

1-({(2S)-4,4-difluoro-1-[(1-methyl-1H-imidazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S)-44-difluoro-1-(1-methyl-1H-imidazole-4-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-123-triazole-4-carboxamide

SMILES

Cn1cnc(C(N(C2)[C@H](Cn3nnc(C(NCCOC)=O)c3)CC2(F)F)=O)c1

InChI

InChI=1S/C16H21F2N7O3/c1-23-7-13(20-10-23)15(27)25-9-16(17,18)5-11(25)6-24-8-12(21-22-24)14(26)19-3-4-28-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,26)/t11-/m1/s1

InChI Key

GHWIUYMSUXXROX-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.653

Distribution Coefficient, logD

-0.653

Water Solubility, LogSw

-1.28

Polar Surface Area

88.851

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

SB36-0733 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB36-0733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-0733?
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What is the minimum amount of SB36-0733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-0733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-0733
  • 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 SB36-0733 available by request