V002-6407 Screening compound: ethyl 3-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

V002-6407 Screening compound: ethyl 3-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
V002-6407 Screening compound: ethyl 3-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6407
ethyl 3-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

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

V002-6407

Molecular Formula

C26H30N4O6 (C26 H30 N4 O6)

Compound Name

ethyl 3-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

IUPAC name

ethyl 3-[4-(345-trimethoxybenzoyl)-14-diazepan-1-yl]quinoxaline-2-carboxylate

SMILES

CCOC(c1nc2ccccc2nc1N(CCC1)CCN1C(c(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C26H30N4O6/c1-5-36-26(32)22-24(28-19-10-7-6-9-18(19)27-22)29-11-8-12-30(14-13-29)25(31)17-15-20(33-2)23(35-4)21(16-17)34-3/h6-7,9-10,15-16H,5,8,11-14H2,1-4H3

InChI Key

ZWWJYVCNQZXECN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955437

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.406

Distribution Coefficient, logD

3.406

Water Solubility, LogSw

-3.56

Polar Surface Area

81.846

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

V002-6407 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V002-6407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6407?
Check Price and Availability of V002-6407, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-6407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6407
  • 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 V002-6407 available by request