Y070-1601 Screening compound: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-propyl-1,3-oxazole-4-carbonitrile

Y070-1601 Screening compound: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-propyl-1,3-oxazole-4-carbonitrile
Y070-1601 Screening compound: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-propyl-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-1601
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-propyl-1,3-oxazole-4-carbonitrile

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

Y070-1601

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-propyl-1,3-oxazole-4-carbonitrile

IUPAC name

5-{[2-(34-dimethoxyphenyl)ethyl]amino}-2-propyl-13-oxazole-4-carbonitrile

SMILES

CCCc1nc(C#N)c(NCCc(cc2)cc(OC)c2OC)o1

InChI

InChI=1S/C17H21N3O3/c1-4-5-16-20-13(11-18)17(23-16)19-9-8-12-6-7-14(21-2)15(10-12)22-3/h6-7,10,19H,4-5,8-9H2,1-3H3

InChI Key

WPEPIVHHGJAJOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03517151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.712

Distribution Coefficient, logD

2.712

Water Solubility, LogSw

-3.03

Polar Surface Area

61.317

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

Y070-1601 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y070-1601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-1601?
Check Price and Availability of Y070-1601, 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 Y070-1601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-1601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-1601
  • 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 Y070-1601 available by request