8019-8924 Screening compound: N~9~-(10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide

Chemical Structure Depiction of ChemDiv screening compound 8019-8924
N~9~-(10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8019-8924

Molecular Formula

C₃₂H₄₃N₅O₅ (C32 H43 N5 O5)

Compound Name

N~9~-(10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide

IUPAC name

N-[2-hydroxy-7-(2-methylpropyl)-58-dioxo-4-(propan-2-yl)-3-oxa-69-diazatricyclo[7.3.0.0^{26}]dodecan-4-yl]-6-methyl-611-diazatetracyclo[7.6.1.0^{27}.0^{1216}]hexadeca-1(16)91214-tetraene-4-carboxamide

SMILES

CC(C)CC(C(N(CCC1)C1C1(O)OC2(C(C)C)NC(C(C3)CN(C)C(Cc4c[nH]5)C3c3c4c5ccc3)=O)=O)N1C2=O

InChI

InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)

InChI Key

PBUNVLRHZGSROC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034078

Chemical and Physical Properties

Saltdata

CH3SO3H

Molecular Weight

577.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

3.152

Distribution Coefficient, logD

1.000

Water Solubility, LogSw

-3.47

Polar Surface Area

94.590

Acid Dissociation Constant (pK_a)

12.62

Base Dissociation Constant (pK_b)

9.55

Number of Chiral Centers

7.00

Percent sp³ carbon bonding

65.63

8019-8924 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CORONAVIRUS Library (20774 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:

Therapeutical areas:

Antiviral
Infections
Immune system
Nervous system
Hemic and lymphatic
Congenital
Metabolic

Mechanism of action:

Epigenetic

References: we are preparing a list of scientific research reports with 8019-8924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8924?
Check Price and Availability of 8019-8924, 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 8019-8924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for 8019-8924
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for 8019-8924

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 8019-8924 available by request