3814-0359 Screening compound: 3-{[(1Z)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ylidene]amino}-1-(4-methylphenyl)thiourea

3814-0359 Screening compound: 3-{[(1Z)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ylidene]amino}-1-(4-methylphenyl)thiourea
3814-0359 Screening compound: 3-{[(1Z)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ylidene]amino}-1-(4-methylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3814-0359
3-{[(1Z)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ylidene]amino}-1-(4-methylphenyl)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

3814-0359

Molecular Formula

C18H23N3S (C18 H23 N3 S)

Compound Name

3-{[(1Z)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ylidene]amino}-1-(4-methylphenyl)thiourea

IUPAC name

3-{[(1Z)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ylidene]amino}-1-(4-methylphenyl)thiourea

SMILES

CC(C(CC=C1C)C/C1=N/NC(Nc1ccc(C)cc1)=S)=C

InChI

InChI=1S/C18H23N3S/c1-12(2)15-8-7-14(4)17(11-15)20-21-18(22)19-16-9-5-13(3)6-10-16/h5-7,9-10,15H,1,8,11H2,2-4H3,(H2,19,21,22)/t15-/m1/s1

InChI Key

JADJHGIDYHYEFB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02331011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.732

Distribution Coefficient, logD

5.732

Water Solubility, LogSw

-5.60

Polar Surface Area

30.779

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

3814-0359 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3814-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3814-0359?
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What is the minimum amount of 3814-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3814-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3814-0359
  • 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 3814-0359 available by request