D658-0125 Screening compound: methyl 4-{7-chloro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

D658-0125 Screening compound: methyl 4-{7-chloro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate
D658-0125 Screening compound: methyl 4-{7-chloro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D658-0125
methyl 4-{7-chloro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-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

D658-0125

Molecular Formula

C26H25ClN2O6 (C26 H25 ClN2 O6)

Compound Name

methyl 4-{7-chloro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

IUPAC name

methyl 4-{7-chloro-2-[3-(morpholin-4-yl)propyl]-39-dioxo-1H2H3H9H-chromeno[23-c]pyrrol-1-yl}benzoate

SMILES

COC(c1ccc(C(C2=C3Oc(ccc(Cl)c4)c4C2=O)N(CCCN2CCOCC2)C3=O)cc1)=O

InChI

InChI=1S/C26H25ClN2O6/c1-33-26(32)17-5-3-16(4-6-17)22-21-23(30)19-15-18(27)7-8-20(19)35-24(21)25(31)29(22)10-2-9-28-11-13-34-14-12-28/h3-8,15,22H,2,9-14H2,1H3/t22-/m1/s1

InChI Key

AGVBICOGIXRKAX-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05937395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.95

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.429

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-4.06

Polar Surface Area

69.776

Acid Dissociation Constant (pKa)

17.72

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

D658-0125 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D658-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D658-0125?
Check Price and Availability of D658-0125, 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 D658-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D658-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D658-0125
  • 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 D658-0125 available by request