V027-9217 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide

V027-9217 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide
V027-9217 Screening compound: N-[3-({4-[(4-bromophenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9217
N-[3-({4-[(4-bromophenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2,4-dimethoxybenzamide

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

V027-9217

Molecular Formula

C29H28BrN3O6S (C29 H28 BrN3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COCCCN(C(C(Nc(cc1)ccc1Br)=C1Sc2cc(NC(c(ccc(OC)c3)c3OC)=O)ccc2)=O)C1=O

InChI

InChI=1S/C29H28BrN3O6S/c1-37-15-5-14-33-28(35)25(31-19-10-8-18(30)9-11-19)26(29(33)36)40-22-7-4-6-20(16-22)32-27(34)23-13-12-21(38-2)17-24(23)39-3/h4,6-13,16-17,31H,5,14-15H2,1-3H3,(H,32,34)

InChI Key

KLKQRUGAOGIAHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497644

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

626.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.058

Distribution Coefficient, logD

5.002

Water Solubility, LogSw

-4.58

Polar Surface Area

85.461

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V027-9217 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 V027-9217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9217?
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What is the minimum amount of V027-9217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9217
  • 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 V027-9217 available by request