V024-5346 Screening compound: methyl 4-{2-[1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]propanoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

V024-5346 Screening compound: methyl 4-{2-[1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]propanoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
V024-5346 Screening compound: methyl 4-{2-[1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]propanoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-5346
methyl 4-{2-[1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]propanoyl}-1-ethyl-3,5-dimethyl-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

V024-5346

Molecular Formula

C27H28ClFN2O4 (C27 H28 ClFN2 O4)

Compound Name

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

IUPAC name

methyl 4-{2-[1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]formamido]propanoyl}-1-ethyl-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OC)=O)c(C)c(C(C(C)N(Cc(cc2)ccc2F)C(c(cc2)ccc2Cl)=O)=O)c1C

InChI

InChI=1S/C27H28ClFN2O4/c1-6-30-17(3)23(16(2)24(30)27(34)35-5)25(32)18(4)31(15-19-7-13-22(29)14-8-19)26(33)20-9-11-21(28)12-10-20/h7-14,18H,6,15H2,1-5H3/t18-/m0/s1

InChI Key

GSAUZFVEVVOCBU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14259955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.031

Distribution Coefficient, logD

5.031

Water Solubility, LogSw

-5.47

Polar Surface Area

51.177

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with V024-5346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-5346?
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What is the minimum amount of V024-5346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-5346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-5346
  • 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 V024-5346 available by request