V008-4041 Screening compound: 2-{[4-(5-bromo-2-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one

V008-4041 Screening compound: 2-{[4-(5-bromo-2-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
V008-4041 Screening compound: 2-{[4-(5-bromo-2-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4041
2-{[4-(5-bromo-2-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one

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

V008-4041

Molecular Formula

C26H29BrN2O6S2 (C26 H29 BrN2 O6 S2)

Compound Name

2-{[4-(5-bromo-2-methoxybenzenesulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one

IUPAC name

2-{[4-(5-bromo-2-methoxybenzenesulfonyl)-14-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one

SMILES

COc(ccc(Br)c1)c1S(N1CCN(CC(OC=C2OCc(cc3)ccc3SC)=CC2=O)CCC1)(=O)=O

InChI

InChI=1S/C26H29BrN2O6S2/c1-33-24-9-6-20(27)14-26(24)37(31,32)29-11-3-10-28(12-13-29)16-21-15-23(30)25(18-34-21)35-17-19-4-7-22(36-2)8-5-19/h4-9,14-15,18H,3,10-13,16-17H2,1-2H3

InChI Key

FHWSQRRHUPAIMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966184

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

609.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.34

Polar Surface Area

73.363

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with V008-4041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4041?
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What is the minimum amount of V008-4041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4041
  • 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 V008-4041 available by request