V010-9167 Screening compound: ethyl 4-(4-{2-[N-(cyclohexylmethyl)ethanesulfonamido]-N-[(4-methoxyphenyl)methyl]acetamido}piperidin-1-yl)-4-oxobutanoate

V010-9167 Screening compound: ethyl 4-(4-{2-[N-(cyclohexylmethyl)ethanesulfonamido]-N-[(4-methoxyphenyl)methyl]acetamido}piperidin-1-yl)-4-oxobutanoate
V010-9167 Screening compound: ethyl 4-(4-{2-[N-(cyclohexylmethyl)ethanesulfonamido]-N-[(4-methoxyphenyl)methyl]acetamido}piperidin-1-yl)-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9167
ethyl 4-(4-{2-[N-(cyclohexylmethyl)ethanesulfonamido]-N-[(4-methoxyphenyl)methyl]acetamido}piperidin-1-yl)-4-oxobutanoate

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

V010-9167

Molecular Formula

C30H47N3O7S (C30 H47 N3 O7 S)

Compound Name

ethyl 4-(4-{2-[N-(cyclohexylmethyl)ethanesulfonamido]-N-[(4-methoxyphenyl)methyl]acetamido}piperidin-1-yl)-4-oxobutanoate

IUPAC name

ethyl 4-(4-{2-[N-(cyclohexylmethyl)ethanesulfonamido]-N-[(4-methoxyphenyl)methyl]acetamido}piperidin-1-yl)-4-oxobutanoate

SMILES

CCOC(CCC(N(CC1)CCC1N(Cc(cc1)ccc1OC)C(CN(CC1CCCCC1)S(CC)(=O)=O)=O)=O)=O

InChI

InChI=1S/C30H47N3O7S/c1-4-40-30(36)16-15-28(34)31-19-17-26(18-20-31)33(22-25-11-13-27(39-3)14-12-25)29(35)23-32(41(37,38)5-2)21-24-9-7-6-8-10-24/h11-14,24,26H,4-10,15-23H2,1-3H3

InChI Key

LTRKSSLWFZOSCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19970168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.79

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-3.78

Polar Surface Area

90.531

Acid Dissociation Constant (pKa)

21.82

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

V010-9167 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 V010-9167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9167?
Check Price and Availability of V010-9167, 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 V010-9167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9167
  • 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 V010-9167 available by request