6872-0536 Screening compound: 1-(3-ethoxyphenyl)-6,7-dimethyl-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6872-0536 Screening compound: 1-(3-ethoxyphenyl)-6,7-dimethyl-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6872-0536 Screening compound: 1-(3-ethoxyphenyl)-6,7-dimethyl-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-0536
1-(3-ethoxyphenyl)-6,7-dimethyl-2-[3-(morpholin-4-yl)propyl]-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

6872-0536

Molecular Formula

C28H32N2O5 (C28 H32 N2 O5)

Compound Name

1-(3-ethoxyphenyl)-6,7-dimethyl-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-(3-ethoxyphenyl)-67-dimethyl-2-[3-(morpholin-4-yl)propyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCOc1cccc(C(C2=C3Oc(cc(C)c(C)c4)c4C2=O)N(CCCN2CCOCC2)C3=O)c1

InChI

InChI=1S/C28H32N2O5/c1-4-34-21-8-5-7-20(17-21)25-24-26(31)22-15-18(2)19(3)16-23(22)35-27(24)28(32)30(25)10-6-9-29-11-13-33-14-12-29/h5,7-8,15-17,25H,4,6,9-14H2,1-3H3/t25-/m1/s1

InChI Key

ZROYOZCACPAHDT-RUZDIDTESA-N

MDL Number (MFCD)

MFCD06645105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.187

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.12

Polar Surface Area

55.726

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

6872-0536 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6872-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-0536?
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What is the minimum amount of 6872-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-0536
  • 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 6872-0536 available by request