V015-3489 Screening compound: (2E)-3-(2-chloro-3,4-dimethoxyphenyl)-N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]prop-2-enamide

V015-3489 Screening compound: (2E)-3-(2-chloro-3,4-dimethoxyphenyl)-N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]prop-2-enamide
V015-3489 Screening compound: (2E)-3-(2-chloro-3,4-dimethoxyphenyl)-N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-3489
(2E)-3-(2-chloro-3,4-dimethoxyphenyl)-N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]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

V015-3489

Molecular Formula

C24H22Cl2N2O4 (C24 H22 Cl2 N2 O4)

Compound Name

(2E)-3-(2-chloro-3,4-dimethoxyphenyl)-N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]prop-2-enamide

IUPAC name

(2E)-3-(2-chloro-34-dimethoxyphenyl)-N-[2-chloro-5-(4567-tetrahydro-21-benzoxazol-3-yl)phenyl]prop-2-enamide

SMILES

COc1ccc(/C=C/C(Nc(cc(cc2)-c3c(CCCC4)c4no3)c2Cl)=O)c(Cl)c1OC

InChI

InChI=1S/C24H22Cl2N2O4/c1-30-20-11-8-14(22(26)24(20)31-2)9-12-21(29)27-19-13-15(7-10-17(19)25)23-16-5-3-4-6-18(16)28-32-23/h7-13H,3-6H2,1-2H3,(H,27,29)

InChI Key

JAMLYKOHJHWRJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.460

Distribution Coefficient, logD

6.460

Water Solubility, LogSw

-6.50

Polar Surface Area

60.956

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V015-3489 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V015-3489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-3489?
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What is the minimum amount of V015-3489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-3489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-3489
  • 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 V015-3489 available by request