V010-7429 Screening compound: N-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-1H-pyrrol-2-yl]propanamide

V010-7429 Screening compound: N-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-1H-pyrrol-2-yl]propanamide
V010-7429 Screening compound: N-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-1H-pyrrol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-7429
N-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-1H-pyrrol-2-yl]propanamide

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

V010-7429

Molecular Formula

C28H26ClFN2O2S (C28 H26 ClFN2 O2 S)

Compound Name

N-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-1H-pyrrol-2-yl]propanamide

IUPAC name

N-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-1H-pyrrol-2-yl]propanamide

SMILES

COc(cc1)ccc1-c1ccc(CCC(NCc(c(F)ccc2)c2Cl)=O)n1-c(cc1)ccc1SC

InChI

InChI=1S/C28H26ClFN2O2S/c1-34-22-12-6-19(7-13-22)27-16-10-21(32(27)20-8-14-23(35-2)15-9-20)11-17-28(33)31-18-24-25(29)4-3-5-26(24)30/h3-10,12-16H,11,17-18H2,1-2H3,(H,31,33)

InChI Key

WKUXALKZSSIXTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.04

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.094

Distribution Coefficient, logD

7.094

Water Solubility, LogSw

-6.40

Polar Surface Area

33.139

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with V010-7429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-7429?
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What is the minimum amount of V010-7429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-7429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-7429
  • 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 V010-7429 available by request