V027-8100 Screening compound: N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide

V027-8100 Screening compound: N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide
V027-8100 Screening compound: N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8100
N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide

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

V027-8100

Molecular Formula

C26H30N4O4 (C26 H30 N4 O4)

Compound Name

N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide

IUPAC name

N-(6-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide

SMILES

COc(cc(CN(CCC1)CCN1c(cc1)ncc1NC(COc1ccccc1)=O)cc1)c1O

InChI

InChI=1S/C26H30N4O4/c1-33-24-16-20(8-10-23(24)31)18-29-12-5-13-30(15-14-29)25-11-9-21(17-27-25)28-26(32)19-34-22-6-3-2-4-7-22/h2-4,6-11,16-17,31H,5,12-15,18-19H2,1H3,(H,28,32)

InChI Key

JKWKBEBUWNXJTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912359

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

2.666

Water Solubility, LogSw

-3.47

Polar Surface Area

70.719

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

V027-8100 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V027-8100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8100?
Check Price and Availability of V027-8100, 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 V027-8100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8100
  • 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 V027-8100 available by request