D658-0136 Screening compound: 1-(3-bromophenyl)-7-chloro-2-[3-(dimethylamino)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D658-0136 Screening compound: 1-(3-bromophenyl)-7-chloro-2-[3-(dimethylamino)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D658-0136 Screening compound: 1-(3-bromophenyl)-7-chloro-2-[3-(dimethylamino)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D658-0136
1-(3-bromophenyl)-7-chloro-2-[3-(dimethylamino)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

D658-0136

Molecular Formula

C22H20BrClN2O3 (C22 H20 BrClN2 O3)

Compound Name

1-(3-bromophenyl)-7-chloro-2-[3-(dimethylamino)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-(3-bromophenyl)-7-chloro-2-[3-(dimethylamino)propyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CN(C)CCCN(C(C1=C2Oc(ccc(Cl)c3)c3C1=O)c1cccc(Br)c1)C2=O

InChI

InChI=1S/C22H20BrClN2O3/c1-25(2)9-4-10-26-19(13-5-3-6-14(23)11-13)18-20(27)16-12-15(24)7-8-17(16)29-21(18)22(26)28/h3,5-8,11-12,19H,4,9-10H2,1-2H3/t19-/m1/s1

InChI Key

YXPWMTKWXVXPDS-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05937481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

2.383

Water Solubility, LogSw

-4.65

Polar Surface Area

40.849

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D658-0136 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 D658-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D658-0136?
Check Price and Availability of D658-0136, 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 D658-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D658-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D658-0136
  • 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 D658-0136 available by request