V001-4691 Screening compound: 1-{3-[bis(4-chlorophenyl)methoxy]propyl}-4-{[5-(pyridin-2-yl)thiophen-2-yl]sulfonyl}piperazine

V001-4691 Screening compound: 1-{3-[bis(4-chlorophenyl)methoxy]propyl}-4-{[5-(pyridin-2-yl)thiophen-2-yl]sulfonyl}piperazine
V001-4691 Screening compound: 1-{3-[bis(4-chlorophenyl)methoxy]propyl}-4-{[5-(pyridin-2-yl)thiophen-2-yl]sulfonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4691
1-{3-[bis(4-chlorophenyl)methoxy]propyl}-4-{[5-(pyridin-2-yl)thiophen-2-yl]sulfonyl}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

V001-4691

Molecular Formula

C29H29Cl2N3O3S2 (C29 H29 Cl2 N3 O3 S2)

Compound Name

1-{3-[bis(4-chlorophenyl)methoxy]propyl}-4-{[5-(pyridin-2-yl)thiophen-2-yl]sulfonyl}piperazine

IUPAC name

1-{3-[bis(4-chlorophenyl)methoxy]propyl}-4-{[5-(pyridin-2-yl)thiophen-2-yl]sulfonyl}piperazine

SMILES

O=S(c1ccc(-c2ncccc2)s1)(N1CCN(CCCOC(c(cc2)ccc2Cl)c(cc2)ccc2Cl)CC1)=O

InChI

InChI=1S/C29H29Cl2N3O3S2/c30-24-9-5-22(6-10-24)29(23-7-11-25(31)12-8-23)37-21-3-16-33-17-19-34(20-18-33)39(35,36)28-14-13-27(38-28)26-4-1-2-15-32-26/h1-2,4-15,29H,3,16-21H2

InChI Key

VMLAOCPKKRIVJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19965260

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

602.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.301

Distribution Coefficient, logD

6.263

Water Solubility, LogSw

-6.64

Polar Surface Area

52.165

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

V001-4691 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V001-4691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4691?
Check Price and Availability of V001-4691, 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 V001-4691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4691
  • 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 V001-4691 available by request