SB47-0917 Screening compound: (3aR,6aR)-5-(3-furylcarbonyl)-N-isopropyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide

SB47-0917 Screening compound: (3aR,6aR)-5-(3-furylcarbonyl)-N-isopropyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
SB47-0917 Screening compound: (3aR,6aR)-5-(3-furylcarbonyl)-N-isopropyl-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 SB47-0917
(3aR,6aR)-5-(3-furylcarbonyl)-N-isopropyl-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

SB47-0917

Molecular Formula

C18H24N6O3 (C18 H24 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(N(C[C@@H]1CN(C2)C(c3cocc3)=O)C[C@@]12c1nc(C)n[nH]1)=O

InChI

InChI=1S/C18H24N6O3/c1-11(2)19-17(26)24-7-14-6-23(15(25)13-4-5-27-8-13)9-18(14,10-24)16-20-12(3)21-22-16/h4-5,8,11,14H,6-7,9-10H2,1-3H3,(H,19,26)(H,20,21,22)/t14-,18+/m1/s1

InChI Key

STMJEUKIETZGQQ-KDOFPFPSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.914

Distribution Coefficient, logD

0.914

Water Solubility, LogSw

-1.94

Polar Surface Area

84.319

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

SB47-0917 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 SB47-0917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB47-0917?
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What is the minimum amount of SB47-0917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB47-0917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB47-0917
  • 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 SB47-0917 available by request