4477-2977 Screening compound: 1-[2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)acetyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)acetate

4477-2977 Screening compound: 1-[2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)acetyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)acetate
4477-2977 Screening compound: 1-[2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)acetyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-2977
1-[2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)acetyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)acetate

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

4477-2977

Molecular Formula

C32H37N3O7 (C32 H37 N3 O7)

Compound Name

1-[2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)acetyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)acetate

IUPAC name

1-[2-(13-dioxo-octahydro-1H-isoindol-2-yl)acetyl]-224-trimethyl-12-dihydroquinolin-6-yl 2-(13-dioxo-octahydro-1H-isoindol-2-yl)acetate

SMILES

CC1(C)N(C(CN(C(C2C3CCCC2)=O)C3=O)=O)c(ccc(OC(CN(C(C2C3CCCC2)=O)C3=O)=O)c2)c2C(C)=C1

InChI

InChI=1S/C32H37N3O7/c1-18-15-32(2,3)35(26(36)16-33-28(38)20-8-4-5-9-21(20)29(33)39)25-13-12-19(14-24(18)25)42-27(37)17-34-30(40)22-10-6-7-11-23(22)31(34)41/h12-15,20-23H,4-11,16-17H2,1-3H3

InChI Key

NRVFSIPBLSKDGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01563746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.66

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.873

Distribution Coefficient, logD

2.873

Water Solubility, LogSw

-3.49

Polar Surface Area

93.013

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

56.30

4477-2977 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4477-2977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-2977?
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What is the minimum amount of 4477-2977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-2977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-2977
  • 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 4477-2977 available by request