2535-3068 Screening compound: (2Z)-N-[4-(4-chlorophenoxy)phenyl]-2-[(3,4-dimethoxyphenyl)formamido]-3-(2-methoxyphenyl)prop-2-enamide

2535-3068 Screening compound: (2Z)-N-[4-(4-chlorophenoxy)phenyl]-2-[(3,4-dimethoxyphenyl)formamido]-3-(2-methoxyphenyl)prop-2-enamide
2535-3068 Screening compound: (2Z)-N-[4-(4-chlorophenoxy)phenyl]-2-[(3,4-dimethoxyphenyl)formamido]-3-(2-methoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2535-3068
(2Z)-N-[4-(4-chlorophenoxy)phenyl]-2-[(3,4-dimethoxyphenyl)formamido]-3-(2-methoxyphenyl)prop-2-enamide

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

2535-3068

Molecular Formula

C31H27ClN2O6 (C31 H27 ClN2 O6)

Compound Name

(2Z)-N-[4-(4-chlorophenoxy)phenyl]-2-[(3,4-dimethoxyphenyl)formamido]-3-(2-methoxyphenyl)prop-2-enamide

IUPAC name

(2Z)-N-[4-(4-chlorophenoxy)phenyl]-2-[(34-dimethoxyphenyl)formamido]-3-(2-methoxyphenyl)prop-2-enamide

SMILES

COc1c(/C=C(/C(Nc(cc2)ccc2Oc(cc2)ccc2Cl)=O)\NC(c(cc2)cc(OC)c2OC)=O)cccc1

InChI

InChI=1S/C31H27ClN2O6/c1-37-27-7-5-4-6-20(27)18-26(34-30(35)21-8-17-28(38-2)29(19-21)39-3)31(36)33-23-11-15-25(16-12-23)40-24-13-9-22(32)10-14-24/h4-19H,1-3H3,(H,33,36)(H,34,35)

InChI Key

GAYQLQHBABARBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.396

Distribution Coefficient, logD

6.392

Water Solubility, LogSw

-6.39

Polar Surface Area

74.893

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

2535-3068 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 2535-3068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2535-3068?
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What is the minimum amount of 2535-3068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2535-3068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2535-3068
  • 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 2535-3068 available by request