V028-1041 Screening compound: N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide

V028-1041 Screening compound: N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
V028-1041 Screening compound: N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1041
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide

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

V028-1041

Molecular Formula

C28H33N5O5S (C28 H33 N5 O5 S)

Compound Name

N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide

IUPAC name

N-(2-{4-[6-(34-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide

SMILES

COc(ccc(-c(cc1)nnc1N(CC1)CCN1C(CN(CC1OCCC1)C(c1cccs1)=O)=O)c1)c1OC

InChI

InChI=1S/C28H33N5O5S/c1-36-23-9-7-20(17-24(23)37-2)22-8-10-26(30-29-22)31-11-13-32(14-12-31)27(34)19-33(18-21-5-3-15-38-21)28(35)25-6-4-16-39-25/h4,6-10,16-17,21H,3,5,11-15,18-19H2,1-2H3/t21-/m1/s1

InChI Key

PMZJQHOANCDZIP-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19835524

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

551.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.413

Distribution Coefficient, logD

2.340

Water Solubility, LogSw

-2.71

Polar Surface Area

81.699

Acid Dissociation Constant (pKa)

23.84

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V028-1041 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1041?
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What is the minimum amount of V028-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1041
  • 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 V028-1041 available by request