V030-1604 Screening compound: N-(4-{[1-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

V030-1604 Screening compound: N-(4-{[1-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
V030-1604 Screening compound: N-(4-{[1-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1604
N-(4-{[1-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

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

V030-1604

Molecular Formula

C33H27N3O7S (C33 H27 N3 O7 S)

Compound Name

N-(4-{[1-(2,4-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(4-{[1-(24-dimethoxyphenyl)-4-[(4-methylphenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-13-benzodioxole-5-carboxamide

SMILES

Cc(cc1)ccc1NC(C(N(C1=O)c(ccc(OC)c2)c2OC)=O)=C1Sc(cc1)ccc1NC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C33H27N3O7S/c1-19-4-7-21(8-5-19)34-29-30(33(39)36(32(29)38)25-14-11-23(40-2)17-27(25)41-3)44-24-12-9-22(10-13-24)35-31(37)20-6-15-26-28(16-20)43-18-42-26/h4-17,34H,18H2,1-3H3,(H,35,37)

InChI Key

PTVCDVNOZZYNIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497825

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

609.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.730

Distribution Coefficient, logD

5.730

Water Solubility, LogSw

-5.47

Polar Surface Area

93.071

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

V030-1604 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-1604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1604?
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What is the minimum amount of V030-1604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1604
  • 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 V030-1604 available by request