V028-2053 Screening compound: N-[3-({4-[(4-fluorophenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3,4,5-trimethoxybenzamide

V028-2053 Screening compound: N-[3-({4-[(4-fluorophenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3,4,5-trimethoxybenzamide
V028-2053 Screening compound: N-[3-({4-[(4-fluorophenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2053
N-[3-({4-[(4-fluorophenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3,4,5-trimethoxybenzamide

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

V028-2053

Molecular Formula

C30H30FN3O7S (C30 H30 FN3 O7 S)

Compound Name

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

IUPAC name

N-[3-({4-[(4-fluorophenyl)amino]-1-(3-methoxypropyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-345-trimethoxybenzamide

SMILES

COCCCN(C(C(Nc(cc1)ccc1F)=C1Sc2cc(NC(c(cc3OC)cc(OC)c3OC)=O)ccc2)=O)C1=O

InChI

InChI=1S/C30H30FN3O7S/c1-38-14-6-13-34-29(36)25(32-20-11-9-19(31)10-12-20)27(30(34)37)42-22-8-5-7-21(17-22)33-28(35)18-15-23(39-2)26(41-4)24(16-18)40-3/h5,7-12,15-17,32H,6,13-14H2,1-4H3,(H,33,35)

InChI Key

CQRNKYLETKAYJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497689

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

595.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

3.954

Water Solubility, LogSw

-4.10

Polar Surface Area

93.264

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with V028-2053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2053?
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What is the minimum amount of V028-2053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2053
  • 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 V028-2053 available by request