V029-2041 Screening compound: (2E)-N-(1-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-phenylprop-2-enamide

V029-2041 Screening compound: (2E)-N-(1-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-phenylprop-2-enamide
V029-2041 Screening compound: (2E)-N-(1-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-2041
(2E)-N-(1-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-phenylprop-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

V029-2041

Molecular Formula

C21H22N4O2 (C21 H22 N4 O2)

Compound Name

(2E)-N-(1-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-3-phenylprop-2-enamide

IUPAC name

(2E)-N-(1-{3-[4-(dimethylamino)phenyl]-124-oxadiazol-5-yl}ethyl)-3-phenylprop-2-enamide

SMILES

CC(c1nc(-c(cc2)ccc2N(C)C)no1)NC(/C=C/c1ccccc1)=O

InChI

InChI=1S/C21H22N4O2/c1-15(22-19(26)14-9-16-7-5-4-6-8-16)21-23-20(24-27-21)17-10-12-18(13-11-17)25(2)3/h4-15H,1-3H3,(H,22,26)/t15-/m0/s1

InChI Key

VJKCWMOJCIZMEO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19786729

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.510

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.37

Polar Surface Area

58.084

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

V029-2041 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V029-2041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-2041?
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What is the minimum amount of V029-2041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-2041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-2041
  • 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 V029-2041 available by request