SB47-0172 Screening compound: 1-[(3aR,6aR)-5-cyclopentyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-propanone

SB47-0172 Screening compound: 1-[(3aR,6aR)-5-cyclopentyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-propanone
SB47-0172 Screening compound: 1-[(3aR,6aR)-5-cyclopentyl-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 SB47-0172
1-[(3aR,6aR)-5-cyclopentyl-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

SB47-0172

Molecular Formula

C17H27N5O (C17 H27 N5 O)

Compound Name

1-[(3aR,6aR)-5-cyclopentyl-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-cyclopentyl-3a-(3-methyl-1H-124-triazol-5-yl)-octahydropyrrolo[34-c]pyrrol-2-yl]propan-1-one

SMILES

CCC(N(C[C@@H]1CN(C2)C3CCCC3)C[C@@]12c1nc(C)n[nH]1)=O

InChI

InChI=1S/C17H27N5O/c1-3-15(23)22-9-13-8-21(14-6-4-5-7-14)10-17(13,11-22)16-18-12(2)19-20-16/h13-14H,3-11H2,1-2H3,(H,18,19,20)/t13-,17+/m1/s1

InChI Key

YCOXRDJETPGWRU-DYVFJYSZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.470

Distribution Coefficient, logD

-4.739

Water Solubility, LogSw

-1.61

Polar Surface Area

53.874

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

13.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

82.35

SB47-0172 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB47-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB47-0172?
Check Price and Availability of SB47-0172, 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 SB47-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB47-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB47-0172
  • 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 SB47-0172 available by request