V029-8529 Screening compound: N-[4-({4-[(3,4-dimethylphenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide

V029-8529 Screening compound: N-[4-({4-[(3,4-dimethylphenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
V029-8529 Screening compound: N-[4-({4-[(3,4-dimethylphenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8529
N-[4-({4-[(3,4-dimethylphenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide

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

V029-8529

Molecular Formula

C29H28FN3O3S (C29 H28 FN3 O3 S)

Compound Name

N-[4-({4-[(3,4-dimethylphenyl)amino]-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide

IUPAC name

N-[4-({4-[(34-dimethylphenyl)amino]-1-(4-fluorophenyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide

SMILES

CC(C)CC(Nc(cc1)ccc1SC(C(N(C1=O)c(cc2)ccc2F)=O)=C1Nc1cc(C)c(C)cc1)=O

InChI

InChI=1S/C29H28FN3O3S/c1-17(2)15-25(34)31-21-9-13-24(14-10-21)37-27-26(32-22-8-5-18(3)19(4)16-22)28(35)33(29(27)36)23-11-6-20(30)7-12-23/h5-14,16-17,32H,15H2,1-4H3,(H,31,34)

InChI Key

RJZUZUQCUWIICM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497526

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.063

Distribution Coefficient, logD

6.063

Water Solubility, LogSw

-5.42

Polar Surface Area

61.141

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with V029-8529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8529?
Check Price and Availability of V029-8529, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V029-8529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8529
  • 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 V029-8529 available by request