Y020-5630 Screening compound: 3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 4-(diphenylmethyl)piperazine-1-carbodithioate

Y020-5630 Screening compound: 3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 4-(diphenylmethyl)piperazine-1-carbodithioate
Y020-5630 Screening compound: 3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 4-(diphenylmethyl)piperazine-1-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5630
3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 4-(diphenylmethyl)piperazine-1-carbodithioate

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

Y020-5630

Molecular Formula

C29H27N5OS2 (C29 H27 N5 OS2)

Compound Name

3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 4-(diphenylmethyl)piperazine-1-carbodithioate

IUPAC name

3-cyano-3-(23-dihydro-1H-13-benzodiazol-2-ylidene)-2-oxopropyl 4-(diphenylmethyl)piperazine-1-carbodithioate

SMILES

N#CC(C(CSC(N(CC1)CCN1C(c1ccccc1)c1ccccc1)=S)=O)=C1Nc(cccc2)c2N1

InChI

InChI=1S/C29H27N5OS2/c30-19-23(28-31-24-13-7-8-14-25(24)32-28)26(35)20-37-29(36)34-17-15-33(16-18-34)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,27,31-32H,15-18,20H2

InChI Key

BUCRHDGRRHBVPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03296494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.517

Distribution Coefficient, logD

5.491

Water Solubility, LogSw

-5.68

Polar Surface Area

58.241

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

Y020-5630 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-5630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5630?
Check Price and Availability of Y020-5630, 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 Y020-5630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5630
  • 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 Y020-5630 available by request