3779-0032 Screening compound: methyl 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-acetamido-2-(2H-1,2,3,4-tetrazol-5-yl)pentanoate

3779-0032 Screening compound: methyl 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-acetamido-2-(2H-1,2,3,4-tetrazol-5-yl)pentanoate
3779-0032 Screening compound: methyl 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-acetamido-2-(2H-1,2,3,4-tetrazol-5-yl)pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3779-0032
methyl 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-acetamido-2-(2H-1,2,3,4-tetrazol-5-yl)pentanoate

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

3779-0032

Molecular Formula

C17H18N6O5 (C17 H18 N6 O5)

Compound Name

methyl 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-acetamido-2-(2H-1,2,3,4-tetrazol-5-yl)pentanoate

IUPAC name

methyl 5-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-2-acetamido-2-(2H-1234-tetrazol-5-yl)pentanoate

SMILES

CC(NC(CCCN(C(c1c2cccc1)=O)C2=O)(C(OC)=O)c1n[nH]nn1)=O

InChI

InChI=1S/C17H18N6O5/c1-10(24)18-17(16(27)28-2,15-19-21-22-20-15)8-5-9-23-13(25)11-6-3-4-7-12(11)14(23)26/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,24)(H,19,20,21,22)/t17-/m1/s1

InChI Key

LAXFLQUNRXTZBP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00826327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.37

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.246

Distribution Coefficient, logD

-2.545

Water Solubility, LogSw

-1.95

Polar Surface Area

125.281

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

3779-0032 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3779-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3779-0032?
Check Price and Availability of 3779-0032, 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 3779-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3779-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3779-0032
  • 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 3779-0032 available by request