Y020-8300 Screening compound: N~1~-phenyl-3,4-dihydropyrimido[1,2-a][1,3]benzimidazole-1(2H)-carbothioamide

Y020-8300 Screening compound: N~1~-phenyl-3,4-dihydropyrimido[1,2-a][1,3]benzimidazole-1(2H)-carbothioamide
Y020-8300 Screening compound: N~1~-phenyl-3,4-dihydropyrimido[1,2-a][1,3]benzimidazole-1(2H)-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8300
N~1~-phenyl-3,4-dihydropyrimido[1,2-a][1,3]benzimidazole-1(2H)-carbothioamide

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

Y020-8300

Molecular Formula

C17H16N4S (C17 H16 N4 S)

Compound Name

N~1~-phenyl-3,4-dihydropyrimido[1,2-a][1,3]benzimidazole-1(2H)-carbothioamide

IUPAC name

N-phenyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene-10-carbothioamide

SMILES

S=C(Nc1ccccc1)N1c2nc(cccc3)c3n2CCC1

InChI

InChI=1S/C17H16N4S/c22-17(18-13-7-2-1-3-8-13)21-12-6-11-20-15-10-5-4-9-14(15)19-16(20)21/h1-5,7-10H,6,11-12H2,(H,18,22)

InChI Key

KZHICQSHIDGALE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01159597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.18

Polar Surface Area

19.729

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y020-8300 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y020-8300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8300?
Check Price and Availability of Y020-8300, 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 Y020-8300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8300
  • 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 Y020-8300 available by request