Y510-4972 Screening compound: 3-amino-1-(3,4-dimethoxyphenyl)-1,5,6,7,8,9-hexahydro-2H-benzo[a]cycloheptene-2,2,4-tricarbonitrile

Y510-4972 Screening compound: 3-amino-1-(3,4-dimethoxyphenyl)-1,5,6,7,8,9-hexahydro-2H-benzo[a]cycloheptene-2,2,4-tricarbonitrile
Y510-4972 Screening compound: 3-amino-1-(3,4-dimethoxyphenyl)-1,5,6,7,8,9-hexahydro-2H-benzo[a]cycloheptene-2,2,4-tricarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y510-4972
3-amino-1-(3,4-dimethoxyphenyl)-1,5,6,7,8,9-hexahydro-2H-benzo[a]cycloheptene-2,2,4-tricarbonitrile

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

Y510-4972

Molecular Formula

C22H22N4O2 (C22 H22 N4 O2)

Compound Name

3-amino-1-(3,4-dimethoxyphenyl)-1,5,6,7,8,9-hexahydro-2H-benzo[a]cycloheptene-2,2,4-tricarbonitrile

IUPAC name

n/a

SMILES

COc(ccc(C(C1(C#N)C#N)C(CCCCC2)=C2C(C#N)=C1N)c1)c1OC

InChI

InChI=1S/C22H22N4O2/c1-27-18-9-8-14(10-19(18)28-2)20-16-7-5-3-4-6-15(16)17(11-23)21(26)22(20,12-24)13-25/h8-10,20H,3-7,26H2,1-2H3/t20-/m1/s1

InChI Key

LXHZTPSOWXXKIG-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.135

Distribution Coefficient, logD

3.135

Water Solubility, LogSw

-3.11

Polar Surface Area

87.947

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with Y510-4972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y510-4972?
Check Price and Availability of Y510-4972, 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 Y510-4972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y510-4972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y510-4972
  • 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 Y510-4972 available by request