V028-3471 Screening compound: N-(3-{[1-(2-methylpropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide

V028-3471 Screening compound: N-(3-{[1-(2-methylpropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide
V028-3471 Screening compound: N-(3-{[1-(2-methylpropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-3471
N-(3-{[1-(2-methylpropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide

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

V028-3471

Molecular Formula

C28H29N3O4S (C28 H29 N3 O4 S)

Compound Name

N-(3-{[1-(2-methylpropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide

IUPAC name

N-(3-{[1-(2-methylpropyl)-25-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)furan-2-carboxamide

SMILES

CC(C)CN(C(C(Nc1ccc(C(C)C)cc1)=C1Sc2cc(NC(c3ccco3)=O)ccc2)=O)C1=O

InChI

InChI=1S/C28H29N3O4S/c1-17(2)16-31-27(33)24(29-20-12-10-19(11-13-20)18(3)4)25(28(31)34)36-22-8-5-7-21(15-22)30-26(32)23-9-6-14-35-23/h5-15,17-18,29H,16H2,1-4H3,(H,30,32)

InChI Key

ACHDLPSRPSYDBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496620

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.857

Distribution Coefficient, logD

5.856

Water Solubility, LogSw

-5.45

Polar Surface Area

70.544

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V028-3471 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V028-3471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-3471?
Check Price and Availability of V028-3471, 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 V028-3471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-3471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-3471
  • 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 V028-3471 available by request