V028-7822 Screening compound: N-(6-{4-[(2-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide

V028-7822 Screening compound: N-(6-{4-[(2-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide
V028-7822 Screening compound: N-(6-{4-[(2-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-7822
N-(6-{4-[(2-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylbutanamide

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

V028-7822

Molecular Formula

C28H34N4O3 (C28 H34 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc(cc1)cnc1N1CCN(Cc(cccc2OC)c2O)CCC1)=O)c1ccccc1

InChI

InChI=1S/C28H34N4O3/c1-3-24(21-9-5-4-6-10-21)28(34)30-23-13-14-26(29-19-23)32-16-8-15-31(17-18-32)20-22-11-7-12-25(35-2)27(22)33/h4-7,9-14,19,24,33H,3,8,15-18,20H2,1-2H3,(H,30,34)/t24-/m1/s1

InChI Key

GQTMZOAWFWDPBO-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19979629

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.240

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.82

Polar Surface Area

62.364

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.71

V028-7822 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V028-7822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-7822?
Check Price and Availability of V028-7822, 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 V028-7822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-7822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-7822
  • 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 V028-7822 available by request