V031-2658 Screening compound: 1-[(4,5-dibromothiophen-2-yl)sulfonyl]-4-{2-[(3,4-difluorophenyl)(phenyl)methoxy]ethyl}piperazine

V031-2658 Screening compound: 1-[(4,5-dibromothiophen-2-yl)sulfonyl]-4-{2-[(3,4-difluorophenyl)(phenyl)methoxy]ethyl}piperazine
V031-2658 Screening compound: 1-[(4,5-dibromothiophen-2-yl)sulfonyl]-4-{2-[(3,4-difluorophenyl)(phenyl)methoxy]ethyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2658
1-[(4,5-dibromothiophen-2-yl)sulfonyl]-4-{2-[(3,4-difluorophenyl)(phenyl)methoxy]ethyl}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

V031-2658

Molecular Formula

C23H22Br2F2N2O3S2 (C23 H22 Br2 F2 N2 O3 S2)

Compound Name

1-[(4,5-dibromothiophen-2-yl)sulfonyl]-4-{2-[(3,4-difluorophenyl)(phenyl)methoxy]ethyl}piperazine

IUPAC name

1-[(45-dibromothiophen-2-yl)sulfonyl]-4-{2-[(34-difluorophenyl)(phenyl)methoxy]ethyl}piperazine

SMILES

O=S(c(s1)cc(Br)c1Br)(N1CCN(CCOC(c2ccccc2)c(cc2)cc(F)c2F)CC1)=O

InChI

InChI=1S/C23H22Br2F2N2O3S2/c24-18-15-21(33-23(18)25)34(30,31)29-10-8-28(9-11-29)12-13-32-22(16-4-2-1-3-5-16)17-6-7-19(26)20(27)14-17/h1-7,14-15,22H,8-13H2/t22-/m0/s1

InChI Key

QVIVFVPAQSLEKO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19965119

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

636.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.993

Distribution Coefficient, logD

5.982

Water Solubility, LogSw

-6.05

Polar Surface Area

43.389

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with V031-2658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2658?
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What is the minimum amount of V031-2658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2658
  • 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 V031-2658 available by request