V014-1978 Screening compound: 4-({[(2,6-dimethylphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl methanesulfonate

V014-1978 Screening compound: 4-({[(2,6-dimethylphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl methanesulfonate
V014-1978 Screening compound: 4-({[(2,6-dimethylphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1978
4-({[(2,6-dimethylphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl methanesulfonate

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

V014-1978

Molecular Formula

C22H28N2O5S (C22 H28 N2 O5 S)

Compound Name

4-({[(2,6-dimethylphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl methanesulfonate

IUPAC name

4-({[(26-dimethylphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl methanesulfonate

SMILES

Cc1cccc(C)c1NC(N(CC1OCCC1)Cc(cc1)ccc1OS(C)(=O)=O)=O

InChI

InChI=1S/C22H28N2O5S/c1-16-6-4-7-17(2)21(16)23-22(25)24(15-20-8-5-13-28-20)14-18-9-11-19(12-10-18)29-30(3,26)27/h4,6-7,9-12,20H,5,8,13-15H2,1-3H3,(H,23,25)/t20-/m1/s1

InChI Key

WMSMLIKMGGTIEM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19753080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.18

Polar Surface Area

68.406

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-4.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

V014-1978 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V014-1978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1978?
Check Price and Availability of V014-1978, 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 V014-1978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1978
  • 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 V014-1978 available by request