SB47-0669 Screening compound: 1-[(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-pyridylcarbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methoxyphenyl)-1-ethanone

SB47-0669 Screening compound: 1-[(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-pyridylcarbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methoxyphenyl)-1-ethanone
SB47-0669 Screening compound: 1-[(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-pyridylcarbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methoxyphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB47-0669
1-[(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-pyridylcarbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methoxyphenyl)-1-ethanone

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

SB47-0669

Molecular Formula

C24H26N6O3 (C24 H26 N6 O3)

Compound Name

1-[(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-pyridylcarbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methoxyphenyl)-1-ethanone

IUPAC name

1-[(3aR6aR)-3a-(3-methyl-1H-124-triazol-5-yl)-5-(pyridine-3-carbonyl)-octahydropyrrolo[34-c]pyrrol-2-yl]-2-(3-methoxyphenyl)ethan-1-one

SMILES

Cc1n[nH]c([C@@](CN(C2)C(Cc3cc(OC)ccc3)=O)(C3)[C@@H]2CN3C(c2cnccc2)=O)n1

InChI

InChI=1S/C24H26N6O3/c1-16-26-23(28-27-16)24-14-29(21(31)10-17-5-3-7-20(9-17)33-2)12-19(24)13-30(15-24)22(32)18-6-4-8-25-11-18/h3-9,11,19H,10,12-15H2,1-2H3,(H,26,27,28)/t19-,24+/m1/s1

InChI Key

FUIDXSZLKRSMGZ-DVECYGJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.083

Distribution Coefficient, logD

1.082

Water Solubility, LogSw

-1.42

Polar Surface Area

83.661

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

SB47-0669 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB47-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB47-0669?
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What is the minimum amount of SB47-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB47-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB47-0669
  • 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 SB47-0669 available by request