SB75-1092 Screening compound: N~5~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-5-pyrimidinecarboxamide

SB75-1092 Screening compound: N~5~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-5-pyrimidinecarboxamide
SB75-1092 Screening compound: N~5~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-1092
N~5~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-5-pyrimidinecarboxamide

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

SB75-1092

Molecular Formula

C19H24N6O3 (C19 H24 N6 O3)

Compound Name

N~5~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-5-pyrimidinecarboxamide

IUPAC name

N-[(3aR5R6aR)-3a-(3-methyl-124-oxadiazol-5-yl)-2-(2-methylpropanoyl)-octahydrocyclopenta[c]pyrrol-5-yl]pyrimidine-5-carboxamide

SMILES

CC(C)C(N(C[C@@H]1C[C@H](C2)NC(c3cncnc3)=O)C[C@@]12c1nc(C)no1)=O

InChI

InChI=1S/C19H24N6O3/c1-11(2)17(27)25-8-14-4-15(23-16(26)13-6-20-10-21-7-13)5-19(14,9-25)18-22-12(3)24-28-18/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3,(H,23,26)/t14-,15-,19+/m1/s1

InChI Key

YFKKQOKEIRNZRF-CLCXKQKWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.243

Distribution Coefficient, logD

0.243

Water Solubility, LogSw

-1.17

Polar Surface Area

93.664

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.89

SB75-1092 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 SB75-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-1092?
Check Price and Availability of SB75-1092, 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 SB75-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-1092
  • 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 SB75-1092 available by request