1988-2017 Screening compound: 3-[4-(diethylamino)phenyl]-1-[(2E)-3-phenylprop-2-enoyl]thiourea

1988-2017 Screening compound: 3-[4-(diethylamino)phenyl]-1-[(2E)-3-phenylprop-2-enoyl]thiourea
1988-2017 Screening compound: 3-[4-(diethylamino)phenyl]-1-[(2E)-3-phenylprop-2-enoyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-2017
3-[4-(diethylamino)phenyl]-1-[(2E)-3-phenylprop-2-enoyl]thiourea

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

1988-2017

Molecular Formula

C20H23N3OS (C20 H23 N3 OS)

Compound Name

3-[4-(diethylamino)phenyl]-1-[(2E)-3-phenylprop-2-enoyl]thiourea

IUPAC name

3-[4-(diethylamino)phenyl]-1-[(2E)-3-phenylprop-2-enoyl]thiourea

SMILES

CCN(CC)c(cc1)ccc1NC(NC(/C=C/c1ccccc1)=O)=S

InChI

InChI=1S/C20H23N3OS/c1-3-23(4-2)18-13-11-17(12-14-18)21-20(25)22-19(24)15-10-16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3,(H2,21,22,24,25)

InChI Key

ZFLLSJQBALOKAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.741

Distribution Coefficient, logD

4.549

Water Solubility, LogSw

-4.41

Polar Surface Area

35.763

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1988-2017 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1988-2017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-2017?
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What is the minimum amount of 1988-2017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-2017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-2017
  • 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 1988-2017 available by request