Y020-1397 Screening compound: N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-ethylbutanamide

Y020-1397 Screening compound: N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-ethylbutanamide
Y020-1397 Screening compound: N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1397
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-ethylbutanamide

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

Y020-1397

Molecular Formula

C16H23N3O2 (C16 H23 N3 O2)

Compound Name

N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-ethylbutanamide

IUPAC name

N-(77-dimethyl-5-oxo-5678-tetrahydroquinazolin-2-yl)-2-ethylbutanamide

SMILES

CCC(CC)C(Nc(nc1)nc(CC(C)(C)C2)c1C2=O)=O

InChI

InChI=1S/C16H23N3O2/c1-5-10(6-2)14(21)19-15-17-9-11-12(18-15)7-16(3,4)8-13(11)20/h9-10H,5-8H2,1-4H3,(H,17,18,19,21)

InChI Key

UKWBKPUKWPREOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04161571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.491

Distribution Coefficient, logD

2.099

Water Solubility, LogSw

-2.77

Polar Surface Area

58.498

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

Y020-1397 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y020-1397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1397?
Check Price and Availability of Y020-1397, 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 Y020-1397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1397
  • 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 Y020-1397 available by request