V028-7126 Screening compound: 3-methoxy-N-(3-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

V028-7126 Screening compound: 3-methoxy-N-(3-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
V028-7126 Screening compound: 3-methoxy-N-(3-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-7126
3-methoxy-N-(3-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-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

V028-7126

Molecular Formula

C31H33N3O5S (C31 H33 N3 O5 S)

Compound Name

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

IUPAC name

3-methoxy-N-(3-{[1-(3-methoxypropyl)-25-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide

SMILES

CC(C)c(cc1)ccc1NC(C(N(CCCOC)C1=O)=O)=C1Sc1cc(NC(c2cc(OC)ccc2)=O)ccc1

InChI

InChI=1S/C31H33N3O5S/c1-20(2)21-12-14-23(15-13-21)32-27-28(31(37)34(30(27)36)16-7-17-38-3)40-26-11-6-9-24(19-26)33-29(35)22-8-5-10-25(18-22)39-4/h5-6,8-15,18-20,32H,7,16-17H2,1-4H3,(H,33,35)

InChI Key

DIXOBYUZFISJLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497660

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

559.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.600

Distribution Coefficient, logD

5.599

Water Solubility, LogSw

-5.30

Polar Surface Area

77.830

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

V028-7126 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V028-7126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-7126?
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What is the minimum amount of V028-7126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-7126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-7126
  • 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 V028-7126 available by request