8018-4176 Screening compound: ethyl 2-[(2-{[2-(ethoxycarbonyl)-3-(2-furyl)-5-phenyl-1,5-cyclohexadienyl]amino}ethyl)amino]-6-(2-furyl)-4-phenyl-1,3-cyclohexadiene-1-carboxylate

8018-4176 Screening compound: ethyl 2-[(2-{[2-(ethoxycarbonyl)-3-(2-furyl)-5-phenyl-1,5-cyclohexadienyl]amino}ethyl)amino]-6-(2-furyl)-4-phenyl-1,3-cyclohexadiene-1-carboxylate
8018-4176 Screening compound: ethyl 2-[(2-{[2-(ethoxycarbonyl)-3-(2-furyl)-5-phenyl-1,5-cyclohexadienyl]amino}ethyl)amino]-6-(2-furyl)-4-phenyl-1,3-cyclohexadiene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4176
ethyl 2-[(2-{[2-(ethoxycarbonyl)-3-(2-furyl)-5-phenyl-1,5-cyclohexadienyl]amino}ethyl)amino]-6-(2-furyl)-4-phenyl-1,3-cyclohexadiene-1-carboxylate

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

8018-4176

Molecular Formula

C40H40N2O6 (C40 H40 N2 O6)

Compound Name

ethyl 2-[(2-{[2-(ethoxycarbonyl)-3-(2-furyl)-5-phenyl-1,5-cyclohexadienyl]amino}ethyl)amino]-6-(2-furyl)-4-phenyl-1,3-cyclohexadiene-1-carboxylate

IUPAC name

ethyl 2-[(2-{[2-(ethoxycarbonyl)-3-(furan-2-yl)-5-phenylcyclohexa-15-dien-1-yl]amino}ethyl)amino]-6-(furan-2-yl)-4-phenylcyclohexa-13-diene-1-carboxylate

SMILES

CCOC(C(C(CC(c1ccccc1)=C1)c2ccco2)=C1NCCNC(C=C(CC1c2ccco2)c2ccccc2)=C1C(OCC)=O)=O

InChI

InChI=1S/C40H40N2O6/c1-3-45-39(43)37-31(35-17-11-21-47-35)23-29(27-13-7-5-8-14-27)25-33(37)41-19-20-42-34-26-30(28-15-9-6-10-16-28)24-32(36-18-12-22-48-36)38(34)40(44)46-4-2/h5-18,21-22,25-26,31-32,41-42H,3-4,19-20,23-24H2,1-2H3

InChI Key

UTOBJBIQVBKKRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

644.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.314

Distribution Coefficient, logD

7.131

Water Solubility, LogSw

-5.81

Polar Surface Area

78.242

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8018-4176 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-4176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4176
  • 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 8018-4176 available by request