V005-2550 Screening compound: methyl 4-{2-[1-(2-chlorophenyl)-N-(cyclohexylmethyl)formamido]propanoyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

V005-2550 Screening compound: methyl 4-{2-[1-(2-chlorophenyl)-N-(cyclohexylmethyl)formamido]propanoyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
V005-2550 Screening compound: methyl 4-{2-[1-(2-chlorophenyl)-N-(cyclohexylmethyl)formamido]propanoyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2550
methyl 4-{2-[1-(2-chlorophenyl)-N-(cyclohexylmethyl)formamido]propanoyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

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

V005-2550

Molecular Formula

C26H33ClN2O4 (C26 H33 ClN2 O4)

Compound Name

methyl 4-{2-[1-(2-chlorophenyl)-N-(cyclohexylmethyl)formamido]propanoyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-{2-[1-(2-chlorophenyl)-N-(cyclohexylmethyl)formamido]propanoyl}-135-trimethyl-1H-pyrrole-2-carboxylate

SMILES

CC(C(c1c(C)n(C)c(C(OC)=O)c1C)=O)N(CC1CCCCC1)C(c(cccc1)c1Cl)=O

InChI

InChI=1S/C26H33ClN2O4/c1-16-22(17(2)28(4)23(16)26(32)33-5)24(30)18(3)29(15-19-11-7-6-8-12-19)25(31)20-13-9-10-14-21(20)27/h9-10,13-14,18-19H,6-8,11-12,15H2,1-5H3/t18-/m0/s1

InChI Key

COATYIWLPLHAAU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14258167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.086

Distribution Coefficient, logD

5.086

Water Solubility, LogSw

-5.37

Polar Surface Area

52.455

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V005-2550 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V005-2550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2550?
Check Price and Availability of V005-2550, 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 V005-2550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2550
  • 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 V005-2550 available by request