V028-7196 Screening compound: 4-fluoro-N-(3-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

V028-7196 Screening compound: 4-fluoro-N-(3-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
V028-7196 Screening compound: 4-fluoro-N-(3-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-7196
4-fluoro-N-(3-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

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

V028-7196

Molecular Formula

C30H30FN3O4S (C30 H30 FN3 O4 S)

Compound Name

4-fluoro-N-(3-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

IUPAC name

4-fluoro-N-(3-{[1-(3-methoxypropyl)-25-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

SMILES

CC(C)c(cc1)ccc1NC(C(N(CCCOC)C1=O)=O)=C1Sc1cc(NC(c(cc2)ccc2F)=O)ccc1

InChI

InChI=1S/C30H30FN3O4S/c1-19(2)20-10-14-23(15-11-20)32-26-27(30(37)34(29(26)36)16-5-17-38-3)39-25-7-4-6-24(18-25)33-28(35)21-8-12-22(31)13-9-21/h4,6-15,18-19,32H,5,16-17H2,1-3H3,(H,33,35)

InChI Key

UNEPMWBYPIRRQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497399

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.567

Distribution Coefficient, logD

5.566

Water Solubility, LogSw

-5.34

Polar Surface Area

70.286

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V028-7196 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V028-7196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-7196?
Check Price and Availability of V028-7196, 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 V028-7196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-7196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-7196
  • 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 V028-7196 available by request