8014-6694 Screening compound: N-cyclohexyl-N-[3-({[1,3-dicyclohexyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)propyl]-N'-phenylthiourea

8014-6694 Screening compound: N-cyclohexyl-N-[3-({[1,3-dicyclohexyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)propyl]-N'-phenylthiourea
8014-6694 Screening compound: N-cyclohexyl-N-[3-({[1,3-dicyclohexyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)propyl]-N'-phenylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6694
N-cyclohexyl-N-[3-({[1,3-dicyclohexyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)propyl]-N'-phenylthiourea

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

8014-6694

Molecular Formula

C33H47N5O3S (C33 H47 N5 O3 S)

Compound Name

N-cyclohexyl-N-[3-({[1,3-dicyclohexyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)propyl]-N'-phenylthiourea

IUPAC name

3-cyclohexyl-3-(3-{[(13-dicyclohexyl-246-trioxo-13-diazinan-5-ylidene)methyl]amino}propyl)-1-phenylthiourea

SMILES

O=C(C(C(N1C2CCCCC2)=O)=CNCCCN(C2CCCCC2)C(Nc2ccccc2)=S)N(C2CCCCC2)C1=O

InChI

InChI=1S/C33H47N5O3S/c39-30-29(31(40)38(28-20-11-4-12-21-28)33(41)37(30)27-18-9-3-10-19-27)24-34-22-13-23-36(26-16-7-2-8-17-26)32(42)35-25-14-5-1-6-15-25/h1,5-6,14-15,24,26-28,34H,2-4,7-13,16-23H2,(H,35,42)

InChI Key

WOBXHXDSCDQLDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03759892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.835

Distribution Coefficient, logD

5.834

Water Solubility, LogSw

-5.68

Polar Surface Area

66.152

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.64

8014-6694 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8014-6694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6694?
Check Price and Availability of 8014-6694, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-6694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6694
  • 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 8014-6694 available by request