V027-5507 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-cyclohexyl-2-phenylacetamide

V027-5507 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-cyclohexyl-2-phenylacetamide
V027-5507 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-cyclohexyl-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5507
N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-cyclohexyl-2-phenylacetamide

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

V027-5507

Molecular Formula

C30H34N2O4S (C30 H34 N2 O4 S)

Compound Name

N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-cyclohexyl-2-phenylacetamide

IUPAC name

N-({[(2H-13-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-cyclohexyl-2-phenylacetamide

SMILES

Cc1c(CN(Cc(cc2)cc3c2OCO3)C(CN(C2CCCCC2)C(Cc2ccccc2)=O)=O)scc1

InChI

InChI=1S/C30H34N2O4S/c1-22-14-15-37-28(22)19-31(18-24-12-13-26-27(16-24)36-21-35-26)30(34)20-32(25-10-6-3-7-11-25)29(33)17-23-8-4-2-5-9-23/h2,4-5,8-9,12-16,25H,3,6-7,10-11,17-21H2,1H3

InChI Key

KYULSFHQWLVLLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10459599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.786

Distribution Coefficient, logD

5.786

Water Solubility, LogSw

-5.38

Polar Surface Area

48.713

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V027-5507 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V027-5507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5507?
Check Price and Availability of V027-5507, 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 V027-5507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5507
  • 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 V027-5507 available by request