V021-9125 Screening compound: 2,2-dimethyl-N-{6-[4-(4-nitrobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}propanamide

V021-9125 Screening compound: 2,2-dimethyl-N-{6-[4-(4-nitrobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}propanamide
V021-9125 Screening compound: 2,2-dimethyl-N-{6-[4-(4-nitrobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9125
2,2-dimethyl-N-{6-[4-(4-nitrobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}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

V021-9125

Molecular Formula

C22H29N5O3 (C22 H29 N5 O3)

Compound Name

2,2-dimethyl-N-{6-[4-(4-nitrobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}propanamide

IUPAC name

22-dimethyl-N-(6-{4-[(4-nitrophenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)propanamide

SMILES

CC(C)(C)C(Nc(cc1)cnc1N1CCN(Cc(cc2)ccc2[N+]([O-])=O)CCC1)=O

InChI

InChI=1S/C22H29N5O3/c1-22(2,3)21(28)24-18-7-10-20(23-15-18)26-12-4-11-25(13-14-26)16-17-5-8-19(9-6-17)27(29)30/h5-10,15H,4,11-14,16H2,1-3H3,(H,24,28)

InChI Key

XKHCBARNWMZBCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912232

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.987

Distribution Coefficient, logD

3.848

Water Solubility, LogSw

-3.85

Polar Surface Area

72.908

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

References: we are preparing a list of scientific research reports with V021-9125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-9125?
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What is the minimum amount of V021-9125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9125
  • 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 V021-9125 available by request