3652-0058 Screening compound: N-{1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}-3-nitro-N-phenylbenzamide

3652-0058 Screening compound: N-{1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}-3-nitro-N-phenylbenzamide
3652-0058 Screening compound: N-{1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}-3-nitro-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3652-0058
N-{1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}-3-nitro-N-phenylbenzamide

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

3652-0058

Molecular Formula

C34H28N4O6 (C34 H28 N4 O6)

Compound Name

N-{1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}-3-nitro-N-phenylbenzamide

IUPAC name

N-{1-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanoyl]-2-methyl-1234-tetrahydroquinolin-4-yl}-3-nitro-N-phenylbenzamide

SMILES

CC(C(N(C(C)CC1N(C(c2cccc([N+]([O-])=O)c2)=O)c2ccccc2)c2c1cccc2)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C34H28N4O6/c1-21-19-30(37(24-12-4-3-5-13-24)32(40)23-11-10-14-25(20-23)38(43)44)28-17-8-9-18-29(28)35(21)31(39)22(2)36-33(41)26-15-6-7-16-27(26)34(36)42/h3-18,20-22,30H,19H2,1-2H3

InChI Key

KGWGLPOUBLASOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

5.269

Water Solubility, LogSw

-5.35

Polar Surface Area

90.714

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 3652-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3652-0058?
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What is the minimum amount of 3652-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3652-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3652-0058
  • 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 3652-0058 available by request