K295-0095 Screening compound: N-(3,4-DIMETHOXYPHENETHYL)-6-[4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL]HEXANAMIDE

K295-0095 Screening compound: N-(3,4-DIMETHOXYPHENETHYL)-6-[4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL]HEXANAMIDE
K295-0095 Screening compound: N-(3,4-DIMETHOXYPHENETHYL)-6-[4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL]HEXANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K295-0095
N-(3,4-DIMETHOXYPHENETHYL)-6-[4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL]HEXANAMIDE

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

K295-0095

Molecular Formula

C23H28N4O4 (C23 H28 N4 O4)

Compound Name

N-(3,4-DIMETHOXYPHENETHYL)-6-[4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL]HEXANAMIDE

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-6-(4-oxo-34-dihydro-123-benzotriazin-3-yl)hexanamide

SMILES

COc(ccc(CCNC(CCCCCN1N=Nc(cccc2)c2C1=O)=O)c1)c1OC

InChI

InChI=1S/C23H28N4O4/c1-30-20-12-11-17(16-21(20)31-2)13-14-24-22(28)10-4-3-7-15-27-23(29)18-8-5-6-9-19(18)25-26-27/h5-6,8-9,11-12,16H,3-4,7,10,13-15H2,1-2H3,(H,24,28)

InChI Key

UAEJYPPVVAMAKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.181

Distribution Coefficient, logD

2.181

Water Solubility, LogSw

-2.94

Polar Surface Area

80.485

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

K295-0095 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K295-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K295-0095?
Check Price and Availability of K295-0095, 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 K295-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K295-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K295-0095
  • 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 K295-0095 available by request