V004-7785 Screening compound: 1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-(6-chloropyridine-3-carbonyl)piperazine

V004-7785 Screening compound: 1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-(6-chloropyridine-3-carbonyl)piperazine
V004-7785 Screening compound: 1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-(6-chloropyridine-3-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7785
1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-(6-chloropyridine-3-carbonyl)piperazine

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

V004-7785

Molecular Formula

C26H27Cl2N3O3 (C26 H27 Cl2 N3 O3)

Compound Name

1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-(6-chloropyridine-3-carbonyl)piperazine

IUPAC name

1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-(6-chloropyridine-3-carbonyl)piperazine

SMILES

COc1cccc(COC(CN(CC2)CCN2C(c(cc2)cnc2Cl)=O)c(cc2)ccc2Cl)c1

InChI

InChI=1S/C26H27Cl2N3O3/c1-33-23-4-2-3-19(15-23)18-34-24(20-5-8-22(27)9-6-20)17-30-11-13-31(14-12-30)26(32)21-7-10-25(28)29-16-21/h2-10,15-16,24H,11-14,17-18H2,1H3/t24-/m0/s1

InChI Key

PFWBXJGBFOKXFN-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19953396

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

4.033

Water Solubility, LogSw

-4.67

Polar Surface Area

43.856

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

V004-7785 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-7785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7785?
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What is the minimum amount of V004-7785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7785
  • 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 V004-7785 available by request