V029-3286 Screening compound: N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-(trifluoromethyl)benzamide

V029-3286 Screening compound: N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-(trifluoromethyl)benzamide
V029-3286 Screening compound: N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3286
N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-(trifluoromethyl)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

V029-3286

Molecular Formula

C30H28F3N3O6S (C30 H28 F3 N3 O6 S)

Compound Name

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

IUPAC name

N-[3-({4-[(24-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-(trifluoromethyl)benzamide

SMILES

COCCCN(C(C(Nc(ccc(OC)c1)c1OC)=C1Sc2cc(NC(c3ccc(C(F)(F)F)cc3)=O)ccc2)=O)C1=O

InChI

InChI=1S/C30H28F3N3O6S/c1-40-15-5-14-36-28(38)25(35-23-13-12-21(41-2)17-24(23)42-3)26(29(36)39)43-22-7-4-6-20(16-22)34-27(37)18-8-10-19(11-9-18)30(31,32)33/h4,6-13,16-17,35H,5,14-15H2,1-3H3,(H,34,37)

InChI Key

DCAJOQZOFBFGBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497345

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

615.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.141

Distribution Coefficient, logD

5.088

Water Solubility, LogSw

-4.95

Polar Surface Area

84.763

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V029-3286 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V029-3286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3286?
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What is the minimum amount of V029-3286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3286
  • 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 V029-3286 available by request