D009-0369 Screening compound: (2Z)-N-benzyl-2-[(3,4-dimethoxyphenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)prop-2-enamide

D009-0369 Screening compound: (2Z)-N-benzyl-2-[(3,4-dimethoxyphenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)prop-2-enamide
D009-0369 Screening compound: (2Z)-N-benzyl-2-[(3,4-dimethoxyphenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0369
(2Z)-N-benzyl-2-[(3,4-dimethoxyphenyl)formamido]-3-(1-ethyl-1H-indol-3-yl)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

D009-0369

Molecular Formula

C29H29N3O4 (C29 H29 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(cccc2)c2c(/C=C(/C(NCc2ccccc2)=O)\NC(c(cc2)cc(OC)c2OC)=O)c1

InChI

InChI=1S/C29H29N3O4/c1-4-32-19-22(23-12-8-9-13-25(23)32)16-24(29(34)30-18-20-10-6-5-7-11-20)31-28(33)21-14-15-26(35-2)27(17-21)36-3/h5-17,19H,4,18H2,1-3H3,(H,30,34)(H,31,33)

InChI Key

GHRAUHNQKDRMPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10473978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.987

Distribution Coefficient, logD

3.954

Water Solubility, LogSw

-4.10

Polar Surface Area

63.566

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

D009-0369 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 D009-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0369?
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What is the minimum amount of D009-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0369
  • 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 D009-0369 available by request