V012-0587 Screening compound: ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2-fluorobenzamido)-1H-pyrrole-2-carboxylate

V012-0587 Screening compound: ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2-fluorobenzamido)-1H-pyrrole-2-carboxylate
V012-0587 Screening compound: ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2-fluorobenzamido)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0587
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2-fluorobenzamido)-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

V012-0587

Molecular Formula

C29H27FN2O5 (C29 H27 FN2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(n(Cc1ccccc1)cc1-c(cc2)cc(OC)c2OC)c1NC(c(cccc1)c1F)=O)=O

InChI

InChI=1S/C29H27FN2O5/c1-4-37-29(34)27-26(31-28(33)21-12-8-9-13-23(21)30)22(18-32(27)17-19-10-6-5-7-11-19)20-14-15-24(35-2)25(16-20)36-3/h5-16,18H,4,17H2,1-3H3,(H,31,33)

InChI Key

JRUPZOOICFZEFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

3.554

Water Solubility, LogSw

-4.25

Polar Surface Area

58.935

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

References: we are preparing a list of scientific research reports with V012-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0587?
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What is the minimum amount of V012-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0587
  • 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 V012-0587 available by request