V030-5579 Screening compound: 5-bromo-N-[4-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2-methoxybenzene-1-sulfonamide

V030-5579 Screening compound: 5-bromo-N-[4-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2-methoxybenzene-1-sulfonamide
V030-5579 Screening compound: 5-bromo-N-[4-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5579
5-bromo-N-[4-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2-methoxybenzene-1-sulfonamide

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

V030-5579

Molecular Formula

C26H23Br2N3O5S2 (C26 H23 Br2 N3 O5 S2)

Compound Name

5-bromo-N-[4-({4-[(4-bromophenyl)amino]-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2-methoxybenzene-1-sulfonamide

IUPAC name

5-bromo-N-[4-({4-[(4-bromophenyl)amino]-25-dioxo-1-(propan-2-yl)-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-2-methoxybenzene-1-sulfonamide

SMILES

CC(C)N(C(C(Nc(cc1)ccc1Br)=C1Sc(cc2)ccc2NS(c(cc(cc2)Br)c2OC)(=O)=O)=O)C1=O

InChI

InChI=1S/C26H23Br2N3O5S2/c1-15(2)31-25(32)23(29-18-7-4-16(27)5-8-18)24(26(31)33)37-20-11-9-19(10-12-20)30-38(34,35)22-14-17(28)6-13-21(22)36-3/h4-15,29-30H,1-3H3

InChI Key

FHKRNPKNEOJCFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497765

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

681.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.093

Distribution Coefficient, logD

6.040

Water Solubility, LogSw

-5.50

Polar Surface Area

86.875

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with V030-5579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5579?
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What is the minimum amount of V030-5579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5579
  • 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 V030-5579 available by request