V008-5920 Screening compound: 1-[2-({4-[(2-chloro-5-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carbonyl]-4-phenylpiperazine

V008-5920 Screening compound: 1-[2-({4-[(2-chloro-5-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carbonyl]-4-phenylpiperazine
V008-5920 Screening compound: 1-[2-({4-[(2-chloro-5-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carbonyl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-5920
1-[2-({4-[(2-chloro-5-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carbonyl]-4-phenylpiperazine

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

V008-5920

Molecular Formula

C26H29ClN6O4 (C26 H29 ClN6 O4)

Compound Name

1-[2-({4-[(2-chloro-5-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carbonyl]-4-phenylpiperazine

IUPAC name

1-[2-({4-[(2-chloro-5-nitrophenyl)methyl]piperazin-1-yl}methyl)-13-oxazole-4-carbonyl]-4-phenylpiperazine

SMILES

[O-][N+](c(cc1)cc(CN2CCN(Cc3nc(C(N(CC4)CCN4c4ccccc4)=O)co3)CC2)c1Cl)=O

InChI

InChI=1S/C26H29ClN6O4/c27-23-7-6-22(33(35)36)16-20(23)17-29-8-10-30(11-9-29)18-25-28-24(19-37-25)26(34)32-14-12-31(13-15-32)21-4-2-1-3-5-21/h1-7,16,19H,8-15,17-18H2

InChI Key

CDLGZPJBYVDWJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19909973

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.081

Distribution Coefficient, logD

3.064

Water Solubility, LogSw

-3.41

Polar Surface Area

79.207

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

V008-5920 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V008-5920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-5920?
Check Price and Availability of V008-5920, 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 V008-5920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-5920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-5920
  • 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 V008-5920 available by request