V024-5358 Screening compound: methyl 1-ethyl-4-(2-{N-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)formamido}propanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

V024-5358 Screening compound: methyl 1-ethyl-4-(2-{N-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)formamido}propanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
V024-5358 Screening compound: methyl 1-ethyl-4-(2-{N-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)formamido}propanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-5358
methyl 1-ethyl-4-(2-{N-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)formamido}propanoyl)-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

V024-5358

Molecular Formula

C28H31FN2O5 (C28 H31 FN2 O5)

Compound Name

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

IUPAC name

methyl 1-ethyl-4-(2-{N-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)formamido}propanoyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OC)=O)c(C)c(C(C(C)N(Cc(cc2)ccc2F)C(c2cc(OC)ccc2)=O)=O)c1C

InChI

InChI=1S/C28H31FN2O5/c1-7-30-18(3)24(17(2)25(30)28(34)36-6)26(32)19(4)31(16-20-11-13-22(29)14-12-20)27(33)21-9-8-10-23(15-21)35-5/h8-15,19H,7,16H2,1-6H3/t19-/m0/s1

InChI Key

UJNJWILDKVFIBB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14259957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.414

Distribution Coefficient, logD

4.414

Water Solubility, LogSw

-4.50

Polar Surface Area

58.721

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

V024-5358 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 V024-5358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-5358?
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What is the minimum amount of V024-5358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-5358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-5358
  • 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 V024-5358 available by request