8016-1515 Screening compound: ethyl 4-(3-{(1,3-benzodioxol-5-ylmethyl)[(4-methoxyanilino)carbonyl]amino}-2,5-dioxo-1-pyrrolidinyl)benzoate

8016-1515 Screening compound: ethyl 4-(3-{(1,3-benzodioxol-5-ylmethyl)[(4-methoxyanilino)carbonyl]amino}-2,5-dioxo-1-pyrrolidinyl)benzoate
8016-1515 Screening compound: ethyl 4-(3-{(1,3-benzodioxol-5-ylmethyl)[(4-methoxyanilino)carbonyl]amino}-2,5-dioxo-1-pyrrolidinyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1515
ethyl 4-(3-{(1,3-benzodioxol-5-ylmethyl)[(4-methoxyanilino)carbonyl]amino}-2,5-dioxo-1-pyrrolidinyl)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

8016-1515

Molecular Formula

C29H27N3O8 (C29 H27 N3 O8)

Compound Name

ethyl 4-(3-{(1,3-benzodioxol-5-ylmethyl)[(4-methoxyanilino)carbonyl]amino}-2,5-dioxo-1-pyrrolidinyl)benzoate

IUPAC name

n/a

SMILES

CCOC(c(cc1)ccc1N(C(CC1N(Cc(cc2)cc3c2OCO3)C(Nc(cc2)ccc2OC)=O)=O)C1=O)=O

InChI

InChI=1S/C29H27N3O8/c1-3-38-28(35)19-5-9-21(10-6-19)32-26(33)15-23(27(32)34)31(16-18-4-13-24-25(14-18)40-17-39-24)29(36)30-20-7-11-22(37-2)12-8-20/h4-14,23H,3,15-17H2,1-2H3,(H,30,36)/t23-/m0/s1

InChI Key

HFTYQDURCLJRIH-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.524

Distribution Coefficient, logD

3.524

Water Solubility, LogSw

-3.70

Polar Surface Area

98.120

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with 8016-1515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1515?
Check Price and Availability of 8016-1515, 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 8016-1515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1515
  • 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 8016-1515 available by request