3795-0491 Screening compound: methyl 4-[2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]benzoate

3795-0491 Screening compound: methyl 4-[2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]benzoate
3795-0491 Screening compound: methyl 4-[2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3795-0491
methyl 4-[2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]benzoate

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

3795-0491

Molecular Formula

C22H21N3O7 (C22 H21 N3 O7)

Compound Name

methyl 4-[2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]benzoate

IUPAC name

methyl 4-[2-(4-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanamido]benzoate

SMILES

CCCCC(C(Nc(cc1)ccc1C(OC)=O)=O)N(C(c1cccc([N+]([O-])=O)c11)=O)C1=O

InChI

InChI=1S/C22H21N3O7/c1-3-4-7-17(19(26)23-14-11-9-13(10-12-14)22(29)32-2)24-20(27)15-6-5-8-16(25(30)31)18(15)21(24)28/h5-6,8-12,17H,3-4,7H2,1-2H3,(H,23,26)/t17-/m0/s1

InChI Key

BYQAWHPUMXIMMG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02577663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.42

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.213

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-3.84

Polar Surface Area

106.034

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

3795-0491 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3795-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3795-0491?
Check Price and Availability of 3795-0491, 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 3795-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3795-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3795-0491
  • 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 3795-0491 available by request