D491-3311 Screening compound: 2-[3-(dimethylamino)propyl]-6,7-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D491-3311 Screening compound: 2-[3-(dimethylamino)propyl]-6,7-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D491-3311 Screening compound: 2-[3-(dimethylamino)propyl]-6,7-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-3311
2-[3-(dimethylamino)propyl]-6,7-dimethyl-1-(3,4,5-trimethoxyphenyl)-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

D491-3311

Molecular Formula

C27H32N2O6 (C27 H32 N2 O6)

Compound Name

2-[3-(dimethylamino)propyl]-6,7-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-[3-(dimethylamino)propyl]-67-dimethyl-1-(345-trimethoxyphenyl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Cc(c(C)c1)cc2c1OC(C(N(CCCN(C)C)C1c(cc3OC)cc(OC)c3OC)=O)=C1C2=O

InChI

InChI=1S/C27H32N2O6/c1-15-11-18-19(12-16(15)2)35-26-22(24(18)30)23(29(27(26)31)10-8-9-28(3)4)17-13-20(32-5)25(34-7)21(14-17)33-6/h11-14,23H,8-10H2,1-7H3/t23-/m1/s1

InChI Key

LBSCUNWHCGIPNB-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06645274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.656

Distribution Coefficient, logD

1.707

Water Solubility, LogSw

-3.85

Polar Surface Area

63.826

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

D491-3311 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 D491-3311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-3311?
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What is the minimum amount of D491-3311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-3311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-3311
  • 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 D491-3311 available by request