SB47-0874 Screening compound: (3aR,6aR)-N-isopropyl-5-[(5-methyl-2-pyridyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide

SB47-0874 Screening compound: (3aR,6aR)-N-isopropyl-5-[(5-methyl-2-pyridyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
SB47-0874 Screening compound: (3aR,6aR)-N-isopropyl-5-[(5-methyl-2-pyridyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB47-0874
(3aR,6aR)-N-isopropyl-5-[(5-methyl-2-pyridyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-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

SB47-0874

Molecular Formula

C20H29N7O (C20 H29 N7 O)

Compound Name

(3aR,6aR)-N-isopropyl-5-[(5-methyl-2-pyridyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide

IUPAC name

(3aR6aR)-3a-(3-methyl-1H-124-triazol-5-yl)-5-[(5-methylpyridin-2-yl)methyl]-N-(propan-2-yl)-octahydropyrrolo[34-c]pyrrole-2-carboxamide

SMILES

CC(C)NC(N(C[C@@H]1CN(Cc2ncc(C)cc2)C2)C[C@@]12c1nc(C)n[nH]1)=O

InChI

InChI=1S/C20H29N7O/c1-13(2)22-19(28)27-9-16-8-26(10-17-6-5-14(3)7-21-17)11-20(16,12-27)18-23-15(4)24-25-18/h5-7,13,16H,8-12H2,1-4H3,(H,22,28)(H,23,24,25)/t16-,20+/m1/s1

InChI Key

XTFRSOHXSLBRBF-UZLBHIALSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.732

Distribution Coefficient, logD

-2.573

Water Solubility, LogSw

-2.08

Polar Surface Area

73.233

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

11.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

SB47-0874 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB47-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB47-0874?
Check Price and Availability of SB47-0874, 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 SB47-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB47-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB47-0874
  • 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 SB47-0874 available by request