D417-0012 Screening compound: 7-chloro-1-(3-methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D417-0012 Screening compound: 7-chloro-1-(3-methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D417-0012 Screening compound: 7-chloro-1-(3-methoxyphenyl)-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 D417-0012
7-chloro-1-(3-methoxyphenyl)-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

D417-0012

Molecular Formula

C25H25ClN2O5 (C25 H25 ClN2 O5)

Compound Name

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

IUPAC name

7-chloro-1-(3-methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

COc1cccc(C(C2=C3Oc(ccc(Cl)c4)c4C2=O)N(CCCN2CCOCC2)C3=O)c1

InChI

InChI=1S/C25H25ClN2O5/c1-31-18-5-2-4-16(14-18)22-21-23(29)19-15-17(26)6-7-20(19)33-24(21)25(30)28(22)9-3-8-27-10-12-32-13-11-27/h2,4-7,14-15,22H,3,8-13H2,1H3/t22-/m1/s1

InChI Key

XRKBQYNDPSNZRO-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.359

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.77

Polar Surface Area

56.146

Acid Dissociation Constant (pKa)

17.72

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with D417-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D417-0012?
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What is the minimum amount of D417-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D417-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D417-0012
  • 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 D417-0012 available by request