D009-0463 Screening compound: (2Z)-N-[2-(1H-indol-3-yl)ethyl]-3-(1-methyl-1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide

D009-0463 Screening compound: (2Z)-N-[2-(1H-indol-3-yl)ethyl]-3-(1-methyl-1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide
D009-0463 Screening compound: (2Z)-N-[2-(1H-indol-3-yl)ethyl]-3-(1-methyl-1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0463
(2Z)-N-[2-(1H-indol-3-yl)ethyl]-3-(1-methyl-1H-indol-3-yl)-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

D009-0463

Molecular Formula

C32H32N4O5 (C32 H32 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(cccc2)c2c(/C=C(/C(NCCc2c[nH]c3c2cccc3)=O)\NC(c(cc2OC)cc(OC)c2OC)=O)c1

InChI

InChI=1S/C32H32N4O5/c1-36-19-22(24-10-6-8-12-27(24)36)15-26(32(38)33-14-13-20-18-34-25-11-7-5-9-23(20)25)35-31(37)21-16-28(39-2)30(41-4)29(17-21)40-3/h5-12,15-19,34H,13-14H2,1-4H3,(H,33,38)(H,35,37)

InChI Key

CKBYYROCOYZVLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.152

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.21

Polar Surface Area

81.826

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D009-0463 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with D009-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0463?
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What is the minimum amount of D009-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0463
  • 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 D009-0463 available by request