V029-3334 Screening compound: N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]thiophene-2-carboxamide

V029-3334 Screening compound: N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]thiophene-2-carboxamide
V029-3334 Screening compound: N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3334
N-[3-({4-[(2,4-dimethoxyphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]thiophene-2-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

V029-3334

Molecular Formula

C27H27N3O6S2 (C27 H27 N3 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

COCCCN(C(C(Nc(ccc(OC)c1)c1OC)=C1Sc2cccc(NC(c3cccs3)=O)c2)=O)C1=O

InChI

InChI=1S/C27H27N3O6S2/c1-34-13-6-12-30-26(32)23(29-20-11-10-18(35-2)16-21(20)36-3)24(27(30)33)38-19-8-4-7-17(15-19)28-25(31)22-9-5-14-37-22/h4-5,7-11,14-16,29H,6,12-13H2,1-3H3,(H,28,31)

InChI Key

QWMXEUHYMQMKPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497338

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

553.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

4.128

Water Solubility, LogSw

-4.24

Polar Surface Area

85.781

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V029-3334 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 V029-3334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3334?
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What is the minimum amount of V029-3334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3334
  • 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 V029-3334 available by request