V028-5706 Screening compound: N-[4-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-fluorobenzamide

V028-5706 Screening compound: N-[4-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-fluorobenzamide
V028-5706 Screening compound: N-[4-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5706
N-[4-({4-[(4-bromophenyl)amino]-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-fluorobenzamide

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

V028-5706

Molecular Formula

C27H23BrFN3O3S (C27 H23 BrFN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C(C(Nc(cc1)ccc1Br)=C1Sc(cc2)ccc2NC(c(cc2)ccc2F)=O)=O)C1=O

InChI

InChI=1S/C27H23BrFN3O3S/c1-16(2)15-32-26(34)23(30-20-9-5-18(28)6-10-20)24(27(32)35)36-22-13-11-21(12-14-22)31-25(33)17-3-7-19(29)8-4-17/h3-14,16,30H,15H2,1-2H3,(H,31,33)

InChI Key

YALBIIKAKBBNHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497828

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

568.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.219

Distribution Coefficient, logD

6.163

Water Solubility, LogSw

-5.54

Polar Surface Area

61.966

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with V028-5706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5706?
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What is the minimum amount of V028-5706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5706
  • 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 V028-5706 available by request