V015-3460 Screening compound: ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2-phenoxypropanamido)-1H-pyrrole-2-carboxylate

V015-3460 Screening compound: ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2-phenoxypropanamido)-1H-pyrrole-2-carboxylate
V015-3460 Screening compound: ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2-phenoxypropanamido)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-3460
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2-phenoxypropanamido)-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

V015-3460

Molecular Formula

C31H32N2O6 (C31 H32 N2 O6)

Compound Name

ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2-phenoxypropanamido)-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 1-benzyl-4-(34-dimethoxyphenyl)-3-(2-phenoxypropanamido)-1H-pyrrole-2-carboxylate

SMILES

CCOC(c(n(Cc1ccccc1)cc1-c(cc2)cc(OC)c2OC)c1NC(C(C)Oc1ccccc1)=O)=O

InChI

InChI=1S/C31H32N2O6/c1-5-38-31(35)29-28(32-30(34)21(2)39-24-14-10-7-11-15-24)25(20-33(29)19-22-12-8-6-9-13-22)23-16-17-26(36-3)27(18-23)37-4/h6-18,20-21H,5,19H2,1-4H3,(H,32,34)/t21-/m0/s1

InChI Key

SIYCHHMYCQYJGL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19964795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.028

Distribution Coefficient, logD

5.004

Water Solubility, LogSw

-4.42

Polar Surface Area

65.724

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-4.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.60

References: we are preparing a list of scientific research reports with V015-3460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-3460?
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What is the minimum amount of V015-3460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-3460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-3460
  • 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 V015-3460 available by request