6959-0614 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-butoxy-3-ethoxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6959-0614 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-butoxy-3-ethoxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6959-0614 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-butoxy-3-ethoxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6959-0614
2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-butoxy-3-ethoxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

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

6959-0614

Molecular Formula

C32H31NO7 (C32 H31 NO7)

Compound Name

2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-butoxy-3-ethoxyphenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-[(2H-13-benzodioxol-5-yl)methyl]-1-(4-butoxy-3-ethoxyphenyl)-7-methyl-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCCCOc(ccc(C(C1=C2Oc(ccc(C)c3)c3C1=O)N(Cc(cc1)cc3c1OCO3)C2=O)c1)c1OCC

InChI

InChI=1S/C32H31NO7/c1-4-6-13-37-24-12-9-21(16-27(24)36-5-2)29-28-30(34)22-14-19(3)7-10-23(22)40-31(28)32(35)33(29)17-20-8-11-25-26(15-20)39-18-38-25/h7-12,14-16,29H,4-6,13,17-18H2,1-3H3/t29-/m1/s1

InChI Key

XIPCRNUWGINLQL-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD06643070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.854

Distribution Coefficient, logD

5.854

Water Solubility, LogSw

-5.41

Polar Surface Area

68.563

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

-5.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 6959-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6959-0614?
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What is the minimum amount of 6959-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6959-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6959-0614
  • 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 6959-0614 available by request