3448-2648 Screening compound: ethyl 4-[3-(heptylamino)-2,5-dioxopyrrolidin-1-yl]benzoate

3448-2648 Screening compound: ethyl 4-[3-(heptylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
3448-2648 Screening compound: ethyl 4-[3-(heptylamino)-2,5-dioxopyrrolidin-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-2648
ethyl 4-[3-(heptylamino)-2,5-dioxopyrrolidin-1-yl]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

3448-2648

Molecular Formula

C20H28N2O4 (C20 H28 N2 O4)

Compound Name

ethyl 4-[3-(heptylamino)-2,5-dioxopyrrolidin-1-yl]benzoate

IUPAC name

ethyl 4-[3-(heptylamino)-25-dioxopyrrolidin-1-yl]benzoate

SMILES

CCCCCCCNC(CC(N1c(cc2)ccc2C(OCC)=O)=O)C1=O

InChI

InChI=1S/C20H28N2O4/c1-3-5-6-7-8-13-21-17-14-18(23)22(19(17)24)16-11-9-15(10-12-16)20(25)26-4-2/h9-12,17,21H,3-8,13-14H2,1-2H3/t17-/m0/s1

InChI Key

KKOFMYNHUDLHJO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02029702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.156

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-3.05

Polar Surface Area

61.776

Acid Dissociation Constant (pKa)

17.23

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with 3448-2648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-2648?
Check Price and Availability of 3448-2648, 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 3448-2648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-2648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-2648
  • 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 3448-2648 available by request