D009-0398 Screening compound: (2Z)-3-(1-ethyl-1H-indol-3-yl)-N-[3-(1H-imidazol-1-yl)propyl]-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide

D009-0398 Screening compound: (2Z)-3-(1-ethyl-1H-indol-3-yl)-N-[3-(1H-imidazol-1-yl)propyl]-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide
D009-0398 Screening compound: (2Z)-3-(1-ethyl-1H-indol-3-yl)-N-[3-(1H-imidazol-1-yl)propyl]-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0398
(2Z)-3-(1-ethyl-1H-indol-3-yl)-N-[3-(1H-imidazol-1-yl)propyl]-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide

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

D009-0398

Molecular Formula

C29H33N5O5 (C29 H33 N5 O5)

Compound Name

(2Z)-3-(1-ethyl-1H-indol-3-yl)-N-[3-(1H-imidazol-1-yl)propyl]-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide

IUPAC name

(2Z)-3-(1-ethyl-1H-indol-3-yl)-N-[3-(1H-imidazol-1-yl)propyl]-2-[(345-trimethoxyphenyl)formamido]prop-2-enamide

SMILES

CCn1c(cccc2)c2c(/C=C(/C(NCCCn2cncc2)=O)\NC(c(cc2OC)cc(OC)c2OC)=O)c1

InChI

InChI=1S/C29H33N5O5/c1-5-34-18-21(22-9-6-7-10-24(22)34)15-23(29(36)31-11-8-13-33-14-12-30-19-33)32-28(35)20-16-25(37-2)27(39-4)26(17-20)38-3/h6-7,9-10,12,14-19H,5,8,11,13H2,1-4H3,(H,31,36)(H,32,35)

InChI Key

KFQDFKSBVJEIRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.391

Distribution Coefficient, logD

2.129

Water Solubility, LogSw

-3.02

Polar Surface Area

83.925

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

D009-0398 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D009-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0398?
Check Price and Availability of D009-0398, 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 D009-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0398
  • 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 D009-0398 available by request