V027-5107 Screening compound: 5-{[(ethylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-2-methoxyphenyl propane-2-sulfonate

V027-5107 Screening compound: 5-{[(ethylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-2-methoxyphenyl propane-2-sulfonate
V027-5107 Screening compound: 5-{[(ethylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-2-methoxyphenyl propane-2-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5107
5-{[(ethylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-2-methoxyphenyl propane-2-sulfonate

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

V027-5107

Molecular Formula

C19H30N2O6S (C19 H30 N2 O6 S)

Compound Name

5-{[(ethylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-2-methoxyphenyl propane-2-sulfonate

IUPAC name

5-{[(ethylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-2-methoxyphenyl propane-2-sulfonate

SMILES

CCNC(N(CC1OCCC1)Cc(cc1)cc(OS(C(C)C)(=O)=O)c1OC)=O

InChI

InChI=1S/C19H30N2O6S/c1-5-20-19(22)21(13-16-7-6-10-26-16)12-15-8-9-17(25-4)18(11-15)27-28(23,24)14(2)3/h8-9,11,14,16H,5-7,10,12-13H2,1-4H3,(H,20,22)/t16-/m1/s1

InChI Key

MZHXOGMNNVLVNE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19790495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.690

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-2.65

Polar Surface Area

78.623

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

V027-5107 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-5107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5107?
Check Price and Availability of V027-5107, 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 V027-5107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5107
  • 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 V027-5107 available by request