8014-7886 Screening compound: ethyl 4-{3-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate

8014-7886 Screening compound: ethyl 4-{3-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate
8014-7886 Screening compound: ethyl 4-{3-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7886
ethyl 4-{3-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}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

8014-7886

Molecular Formula

C29H27N3O7S (C29 H27 N3 O7 S)

Compound Name

ethyl 4-{3-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate

IUPAC name

ethyl 4-{3-[(2H-13-benzodioxol-5-yl)methyl]-4-{[(4-methoxyphenyl)carbamoyl]methyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C(CC(Nc(cc1)ccc1OC)=O)N1Cc(cc2)cc3c2OCO3)=O)C1=S)=O

InChI

InChI=1S/C29H27N3O7S/c1-3-37-28(35)19-5-9-21(10-6-19)32-27(34)23(15-26(33)30-20-7-11-22(36-2)12-8-20)31(29(32)40)16-18-4-13-24-25(14-18)39-17-38-24/h4-14,23H,3,15-17H2,1-2H3,(H,30,33)/t23-/m1/s1

InChI Key

NHVRXKOEFPHKJJ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03677956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

4.003

Water Solubility, LogSw

-4.27

Polar Surface Area

86.810

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.14

References: we are preparing a list of scientific research reports with 8014-7886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7886?
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What is the minimum amount of 8014-7886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7886
  • 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 8014-7886 available by request