D009-0368 Screening compound: (2Z)-2-[(3,4-dimethoxyphenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)-N-(3-hydroxypropyl)prop-2-enamide

D009-0368 Screening compound: (2Z)-2-[(3,4-dimethoxyphenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)-N-(3-hydroxypropyl)prop-2-enamide
D009-0368 Screening compound: (2Z)-2-[(3,4-dimethoxyphenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)-N-(3-hydroxypropyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0368
(2Z)-2-[(3,4-dimethoxyphenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)-N-(3-hydroxypropyl)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

D009-0368

Molecular Formula

C25H29N3O5 (C25 H29 N3 O5)

Compound Name

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

IUPAC name

(2Z)-2-[(34-dimethoxyphenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)-N-(3-hydroxypropyl)prop-2-enamide

SMILES

CCn1c(cccc2)c2c(/C=C(/C(NCCCO)=O)\NC(c(cc2)cc(OC)c2OC)=O)c1

InChI

InChI=1S/C25H29N3O5/c1-4-28-16-18(19-8-5-6-9-21(19)28)14-20(25(31)26-12-7-13-29)27-24(30)17-10-11-22(32-2)23(15-17)33-3/h5-6,8-11,14-16,29H,4,7,12-13H2,1-3H3,(H,26,31)(H,27,30)

InChI Key

HMIPKJUICOVCOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10473808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.758

Distribution Coefficient, logD

1.682

Water Solubility, LogSw

-2.38

Polar Surface Area

80.334

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D009-0368 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 D009-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0368?
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What is the minimum amount of D009-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0368
  • 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 D009-0368 available by request