SB36-1464 Screening compound: 1-[((2S)-4,4-difluoro-1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-2-yl)methyl]-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

SB36-1464 Screening compound: 1-[((2S)-4,4-difluoro-1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-2-yl)methyl]-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
SB36-1464 Screening compound: 1-[((2S)-4,4-difluoro-1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]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 SB36-1464
1-[((2S)-4,4-difluoro-1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]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

SB36-1464

Molecular Formula

C18H24F2N6O5 (C18 H24 F2 N6 O5)

Compound Name

1-[((2S)-4,4-difluoro-1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-2-yl)methyl]-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S)-44-difluoro-1-[4-(methoxymethyl)-5-methyl-12-oxazole-3-carbonyl]pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-123-triazole-4-carboxamide

SMILES

Cc1c(COC)c(C(N(C2)[C@H](Cn3nnc(C(NCCOC)=O)c3)CC2(F)F)=O)no1

InChI

InChI=1S/C18H24F2N6O5/c1-11-13(9-30-3)15(23-31-11)17(28)26-10-18(19,20)6-12(26)7-25-8-14(22-24-25)16(27)21-4-5-29-2/h8,12H,4-7,9-10H2,1-3H3,(H,21,27)/t12-/m1/s1

InChI Key

VXKMEAULXUSAKA-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.037

Distribution Coefficient, logD

-0.037

Water Solubility, LogSw

-0.92

Polar Surface Area

106.870

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SB36-1464 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 SB36-1464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1464?
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What is the minimum amount of SB36-1464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1464
  • 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 SB36-1464 available by request