V027-9688 Screening compound: N-[3-({4-[(3,4-dimethylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

V027-9688 Screening compound: N-[3-({4-[(3,4-dimethylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide
V027-9688 Screening compound: N-[3-({4-[(3,4-dimethylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9688
N-[3-({4-[(3,4-dimethylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-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

V027-9688

Molecular Formula

C29H29N3O4S (C29 H29 N3 O4 S)

Compound Name

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

IUPAC name

N-[3-({4-[(34-dimethylphenyl)amino]-1-(3-methoxypropyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzamide

SMILES

Cc(cc1)c(C)cc1NC(C(N(CCCOC)C1=O)=O)=C1Sc1cc(NC(c2ccccc2)=O)ccc1

InChI

InChI=1S/C29H29N3O4S/c1-19-13-14-23(17-20(19)2)30-25-26(29(35)32(28(25)34)15-8-16-36-3)37-24-12-7-11-22(18-24)31-27(33)21-9-5-4-6-10-21/h4-7,9-14,17-18,30H,8,15-16H2,1-3H3,(H,31,33)

InChI Key

PPNCSAJVWGKXEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497232

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.63

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

5.082

Distribution Coefficient, logD

5.081

Water Solubility, LogSw

-4.74

Polar Surface Area

70.286

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V027-9688 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 V027-9688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9688?
Check Price and Availability of V027-9688, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V027-9688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9688
  • 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 V027-9688 available by request