V007-1618 Screening compound: 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzenesulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one

V007-1618 Screening compound: 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzenesulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
V007-1618 Screening compound: 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzenesulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-1618
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzenesulfonyl)-1,4-diazepan-1-yl]methyl}-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

V007-1618

Molecular Formula

C31H40N2O5S (C31 H40 N2 O5 S)

Compound Name

5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzenesulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one

IUPAC name

5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-propylbenzenesulfonyl)-14-diazepan-1-yl]methyl}-4H-pyran-4-one

SMILES

CCCc(cc1)ccc1S(N1CCN(CC(OC=C2OCc3ccc(C(C)(C)C)cc3)=CC2=O)CCC1)(=O)=O

InChI

InChI=1S/C31H40N2O5S/c1-5-7-24-10-14-28(15-11-24)39(35,36)33-17-6-16-32(18-19-33)21-27-20-29(34)30(23-37-27)38-22-25-8-12-26(13-9-25)31(2,3)4/h8-15,20,23H,5-7,16-19,21-22H2,1-4H3

InChI Key

BOASJJFQPISOCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966134

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

552.74

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.089

Distribution Coefficient, logD

6.089

Water Solubility, LogSw

-5.37

Polar Surface Area

65.733

Acid Dissociation Constant (pKa)

26.80

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

V007-1618 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V007-1618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-1618?
Check Price and Availability of V007-1618, 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 V007-1618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-1618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-1618
  • 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 V007-1618 available by request