V030-0399 Screening compound: 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide

V030-0399 Screening compound: 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
V030-0399 Screening compound: 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0399
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide

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

V030-0399

Molecular Formula

C22H25ClN2O4 (C22 H25 ClN2 O4)

Compound Name

3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide

IUPAC name

3-(5-chloro-1H-indol-3-yl)-3-(34-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide

SMILES

COCCNC(CC(c1c[nH]c(cc2)c1cc2Cl)c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C22H25ClN2O4/c1-27-9-8-24-22(26)12-16(14-4-7-20(28-2)21(10-14)29-3)18-13-25-19-6-5-15(23)11-17(18)19/h4-7,10-11,13,16,25H,8-9,12H2,1-3H3,(H,24,26)/t16-/m1/s1

InChI Key

WJONFHXJUKGDEH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19779705

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

416.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.92

Polar Surface Area

57.754

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

V030-0399 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V030-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0399?
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What is the minimum amount of V030-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0399
  • 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 V030-0399 available by request