V028-2354 Screening compound: methyl 4-{2-[N-(cyclohexylmethyl)-1-(3-fluorophenyl)formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

V028-2354 Screening compound: methyl 4-{2-[N-(cyclohexylmethyl)-1-(3-fluorophenyl)formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
V028-2354 Screening compound: methyl 4-{2-[N-(cyclohexylmethyl)-1-(3-fluorophenyl)formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2354
methyl 4-{2-[N-(cyclohexylmethyl)-1-(3-fluorophenyl)formamido]acetyl}-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

V028-2354

Molecular Formula

C25H31FN2O4 (C25 H31 FN2 O4)

Compound Name

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

IUPAC name

methyl 4-{2-[N-(cyclohexylmethyl)-1-(3-fluorophenyl)formamido]acetyl}-135-trimethyl-1H-pyrrole-2-carboxylate

SMILES

Cc1c(C(OC)=O)n(C)c(C)c1C(CN(CC1CCCCC1)C(c1cccc(F)c1)=O)=O

InChI

InChI=1S/C25H31FN2O4/c1-16-22(17(2)27(3)23(16)25(31)32-4)21(29)15-28(14-18-9-6-5-7-10-18)24(30)19-11-8-12-20(26)13-19/h8,11-13,18H,5-7,9-10,14-15H2,1-4H3

InChI Key

YVECFPACPKWOJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846758

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

442.53

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

4.140

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.48

Polar Surface Area

52.599

Acid Dissociation Constant (pKa)

19.99

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V028-2354 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 V028-2354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2354?
Check Price and Availability of V028-2354, 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 V028-2354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2354
  • 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 V028-2354 available by request