V030-5975 Screening compound: 2,4-dichloro-N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

V030-5975 Screening compound: 2,4-dichloro-N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
V030-5975 Screening compound: 2,4-dichloro-N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5975
2,4-dichloro-N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)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

V030-5975

Molecular Formula

C27H23Cl2N3O4S (C27 H23 Cl2 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COCCCN(C(C(Nc1ccccc1)=C1Sc(cc2)ccc2NC(c(ccc(Cl)c2)c2Cl)=O)=O)C1=O

InChI

InChI=1S/C27H23Cl2N3O4S/c1-36-15-5-14-32-26(34)23(30-18-6-3-2-4-7-18)24(27(32)35)37-20-11-9-19(10-12-20)31-25(33)21-13-8-17(28)16-22(21)29/h2-4,6-13,16,30H,5,14-15H2,1H3,(H,31,33)

InChI Key

YNWBEMGXHCCSJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497010

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

556.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.292

Distribution Coefficient, logD

5.281

Water Solubility, LogSw

-5.84

Polar Surface Area

70.286

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with V030-5975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5975?
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What is the minimum amount of V030-5975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5975
  • 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 V030-5975 available by request