3807-4043 Screening compound: ethyl 4-[3-(2-chlorophenyl)-1',3',4,6-tetraoxo-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5-yl]benzoate

3807-4043 Screening compound: ethyl 4-[3-(2-chlorophenyl)-1',3',4,6-tetraoxo-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5-yl]benzoate
3807-4043 Screening compound: ethyl 4-[3-(2-chlorophenyl)-1',3',4,6-tetraoxo-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-4043
ethyl 4-[3-(2-chlorophenyl)-1',3',4,6-tetraoxo-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5-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

3807-4043

Molecular Formula

C29H20ClNO7 (C29 H20 ClNO7)

Compound Name

ethyl 4-[3-(2-chlorophenyl)-1',3',4,6-tetraoxo-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5-yl]benzoate

IUPAC name

ethyl 4-[3-(2-chlorophenyl)-1'3'46-tetraoxo-1'33'3a4566a-octahydrospiro[furo[34-c]pyrrole-12'-inden]-5-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C(C12)C(c(cccc3)c3Cl)OC2(C(c2c3cccc2)=O)C3=O)=O)C1=O)=O

InChI

InChI=1S/C29H20ClNO7/c1-2-37-28(36)15-11-13-16(14-12-15)31-26(34)21-22(27(31)35)29(38-23(21)19-9-5-6-10-20(19)30)24(32)17-7-3-4-8-18(17)25(29)33/h3-14,21-23H,2H2,1H3

InChI Key

RXXRZUJATITGHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.93

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.173

Distribution Coefficient, logD

4.173

Water Solubility, LogSw

-4.43

Polar Surface Area

84.488

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-7.66

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

20.70

3807-4043 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3807-4043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-4043?
Check Price and Availability of 3807-4043, 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 3807-4043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-4043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-4043
  • 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 3807-4043 available by request