SB47-0125 Screening compound: 1-[(3aR,6aR)-5-(1H-indol-4-ylmethyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-propanone

SB47-0125 Screening compound: 1-[(3aR,6aR)-5-(1H-indol-4-ylmethyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-propanone
SB47-0125 Screening compound: 1-[(3aR,6aR)-5-(1H-indol-4-ylmethyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB47-0125
1-[(3aR,6aR)-5-(1H-indol-4-ylmethyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-propanone

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

SB47-0125

Molecular Formula

C21H26N6O (C21 H26 N6 O)

Compound Name

1-[(3aR,6aR)-5-(1H-indol-4-ylmethyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-propanone

IUPAC name

1-[(3aR6aR)-5-[(1H-indol-4-yl)methyl]-3a-(3-methyl-1H-124-triazol-5-yl)-octahydropyrrolo[34-c]pyrrol-2-yl]propan-1-one

SMILES

CCC(N(C[C@@H]1CN(Cc2c(cc[nH]3)c3ccc2)C2)C[C@@]12c1nc(C)n[nH]1)=O

InChI

InChI=1S/C21H26N6O/c1-3-19(28)27-11-16-10-26(9-15-5-4-6-18-17(15)7-8-22-18)12-21(16,13-27)20-23-14(2)24-25-20/h4-8,16,22H,3,9-13H2,1-2H3,(H,23,24,25)/t16-,21+/m1/s1

InChI Key

ZGFTVXGCURSUNJ-IERDGZPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.979

Distribution Coefficient, logD

-2.474

Water Solubility, LogSw

-2.44

Polar Surface Area

63.737

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

11.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.62

SB47-0125 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB47-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB47-0125?
Check Price and Availability of SB47-0125, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB47-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB47-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB47-0125
  • 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 SB47-0125 available by request