V021-5627 Screening compound: N-(6-{4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylacetamide

V021-5627 Screening compound: N-(6-{4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylacetamide
V021-5627 Screening compound: N-(6-{4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5627
N-(6-{4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylacetamide

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

V021-5627

Molecular Formula

C25H27N5O3 (C25 H27 N5 O3)

Compound Name

N-(6-{4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenylacetamide

IUPAC name

N-(6-{4-[(4-nitrophenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)-2-phenylacetamide

SMILES

[O-][N+](c1ccc(CN(CCC2)CCN2c(cc2)ncc2NC(Cc2ccccc2)=O)cc1)=O

InChI

InChI=1S/C25H27N5O3/c31-25(17-20-5-2-1-3-6-20)27-22-9-12-24(26-18-22)29-14-4-13-28(15-16-29)19-21-7-10-23(11-8-21)30(32)33/h1-3,5-12,18H,4,13-17,19H2,(H,27,31)

InChI Key

BXFRTBIXWPNEJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912160

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.285

Distribution Coefficient, logD

4.146

Water Solubility, LogSw

-4.03

Polar Surface Area

72.423

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V021-5627 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 V021-5627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5627?
Check Price and Availability of V021-5627, 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 V021-5627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5627
  • 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 V021-5627 available by request