D009-0182 Screening compound: N-[(1Z)-3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide

D009-0182 Screening compound: N-[(1Z)-3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
D009-0182 Screening compound: N-[(1Z)-3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0182
N-[(1Z)-3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide

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

D009-0182

Molecular Formula

C29H36N4O7S (C29 H36 N4 O7 S)

Compound Name

N-[(1Z)-3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[(1Z)-3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl]-345-trimethoxybenzamide

SMILES

CN(C)S(n1c(cccc2)c2c(/C=C(/C(N2CCCCCC2)=O)\NC(c(cc2OC)cc(OC)c2OC)=O)c1)(=O)=O

InChI

InChI=1S/C29H36N4O7S/c1-31(2)41(36,37)33-19-21(22-12-8-9-13-24(22)33)16-23(29(35)32-14-10-6-7-11-15-32)30-28(34)20-17-25(38-3)27(40-5)26(18-20)39-4/h8-9,12-13,16-19H,6-7,10-11,14-15H2,1-5H3,(H,30,34)

InChI Key

WWJBNSVBGUIEFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10473733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.69

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.370

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.70

Polar Surface Area

95.472

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

D009-0182 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D009-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0182?
Check Price and Availability of D009-0182, 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 D009-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0182
  • 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 D009-0182 available by request