D009-0345 Screening compound: (2Z)-3-(1-ethyl-1H-indol-3-yl)-N-(3-hydroxypropyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamide

D009-0345 Screening compound: (2Z)-3-(1-ethyl-1H-indol-3-yl)-N-(3-hydroxypropyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamide
D009-0345 Screening compound: (2Z)-3-(1-ethyl-1H-indol-3-yl)-N-(3-hydroxypropyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0345
(2Z)-3-(1-ethyl-1H-indol-3-yl)-N-(3-hydroxypropyl)-2-[(4-methoxyphenyl)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

D009-0345

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

(2Z)-3-(1-ethyl-1H-indol-3-yl)-N-(3-hydroxypropyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamide

IUPAC name

(2Z)-3-(1-ethyl-1H-indol-3-yl)-N-(3-hydroxypropyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamide

SMILES

CCn1c(cccc2)c2c(/C=C(/C(NCCCO)=O)\NC(c(cc2)ccc2OC)=O)c1

InChI

InChI=1S/C24H27N3O4/c1-3-27-16-18(20-7-4-5-8-22(20)27)15-21(24(30)25-13-6-14-28)26-23(29)17-9-11-19(31-2)12-10-17/h4-5,7-12,15-16,28H,3,6,13-14H2,1-2H3,(H,25,30)(H,26,29)

InChI Key

ZGNBQNNVEWPSFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.117

Distribution Coefficient, logD

1.867

Water Solubility, LogSw

-2.62

Polar Surface Area

72.617

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D009-0345 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 D009-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0345?
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What is the minimum amount of D009-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0345
  • 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 D009-0345 available by request