V011-6027 Screening compound: ethyl 2-{[(butan-2-yl)({3-[(ethanesulfonyl)oxy]-4-methoxyphenyl}methyl)carbamoyl]amino}acetate

V011-6027 Screening compound: ethyl 2-{[(butan-2-yl)({3-[(ethanesulfonyl)oxy]-4-methoxyphenyl}methyl)carbamoyl]amino}acetate
V011-6027 Screening compound: ethyl 2-{[(butan-2-yl)({3-[(ethanesulfonyl)oxy]-4-methoxyphenyl}methyl)carbamoyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-6027
ethyl 2-{[(butan-2-yl)({3-[(ethanesulfonyl)oxy]-4-methoxyphenyl}methyl)carbamoyl]amino}acetate

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

V011-6027

Molecular Formula

C19H30N2O7S (C19 H30 N2 O7 S)

Compound Name

ethyl 2-{[(butan-2-yl)({3-[(ethanesulfonyl)oxy]-4-methoxyphenyl}methyl)carbamoyl]amino}acetate

IUPAC name

ethyl 2-{[(butan-2-yl)({3-[(ethanesulfonyl)oxy]-4-methoxyphenyl}methyl)carbamoyl]amino}acetate

SMILES

CCC(C)N(Cc(cc1)cc(OS(CC)(=O)=O)c1OC)C(NCC(OCC)=O)=O

InChI

InChI=1S/C19H30N2O7S/c1-6-14(4)21(19(23)20-12-18(22)27-7-2)13-15-9-10-16(26-5)17(11-15)28-29(24,25)8-3/h9-11,14H,6-8,12-13H2,1-5H3,(H,20,23)/t14-/m0/s1

InChI Key

JVBRUWUTUZEROM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD19756609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.299

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-2.98

Polar Surface Area

89.177

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

V011-6027 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 V011-6027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-6027?
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What is the minimum amount of V011-6027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-6027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-6027
  • 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 V011-6027 available by request