V020-9191 Screening compound: [(4-tert-butylphenyl)methyl][2-(3,4-dimethoxyphenyl)ethyl]({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}methyl)amine

V020-9191 Screening compound: [(4-tert-butylphenyl)methyl][2-(3,4-dimethoxyphenyl)ethyl]({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}methyl)amine
V020-9191 Screening compound: [(4-tert-butylphenyl)methyl][2-(3,4-dimethoxyphenyl)ethyl]({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-9191
[(4-tert-butylphenyl)methyl][2-(3,4-dimethoxyphenyl)ethyl]({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}methyl)amine

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

V020-9191

Molecular Formula

C36H43N5O5S (C36 H43 N5 O5 S)

Compound Name

[(4-tert-butylphenyl)methyl][2-(3,4-dimethoxyphenyl)ethyl]({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}methyl)amine

IUPAC name

[(4-tert-butylphenyl)methyl][2-(34-dimethoxyphenyl)ethyl]({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-13-thiazol-2-yl}methyl)amine

SMILES

CC(C)(C)c1ccc(CN(CCc(cc2)cc(OC)c2OC)Cc2nc(C(N(CC3)CCN3c(cc3)ccc3[N+]([O-])=O)=O)cs2)cc1

InChI

InChI=1S/C36H43N5O5S/c1-36(2,3)28-9-6-27(7-10-28)23-38(17-16-26-8-15-32(45-4)33(22-26)46-5)24-34-37-31(25-47-34)35(42)40-20-18-39(19-21-40)29-11-13-30(14-12-29)41(43)44/h6-15,22,25H,16-21,23-24H2,1-5H3

InChI Key

CGDKHSRUCPDFOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19760188

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

657.83

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.832

Distribution Coefficient, logD

6.831

Water Solubility, LogSw

-5.58

Polar Surface Area

82.709

Acid Dissociation Constant (pKa)

25.86

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with V020-9191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-9191?
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What is the minimum amount of V020-9191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-9191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-9191
  • 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 V020-9191 available by request