1800-0175 Screening compound: N~1~-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamide

1800-0175 Screening compound: N~1~-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamide
1800-0175 Screening compound: N~1~-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1800-0175
N~1~-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamide

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

1800-0175

Molecular Formula

C15H17N3O3 (C15 H17 N3 O3)

Compound Name

N~1~-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamide

IUPAC name

n/a

SMILES

COc1cc(NC(CCc2ccccc2)=O)nc(OC)n1

InChI

InChI=1S/C15H17N3O3/c1-20-14-10-12(17-15(18-14)21-2)16-13(19)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17,18,19)

InChI Key

XUSSTLRZKBKZLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00815075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.967

Distribution Coefficient, logD

2.194

Water Solubility, LogSw

-3.47

Polar Surface Area

57.043

Acid Dissociation Constant (pKa)

6.71

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

1800-0175 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 1800-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1800-0175?
Check Price and Availability of 1800-0175, 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 1800-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1800-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1800-0175
  • 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 1800-0175 available by request