Y503-1747 Screening compound: 3-[({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}amino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Y503-1747 Screening compound: 3-[({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}amino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Y503-1747 Screening compound: 3-[({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}amino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-1747
3-[({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}amino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

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

Y503-1747

Molecular Formula

C18H23N5O4 (C18 H23 N5 O4)

Compound Name

3-[({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}amino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

IUPAC name

3-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

SMILES

CCn1ncc(Cn2ncc(NC(C(C3OC4CC3)C4C(O)=O)=O)c2)c1C

InChI

InChI=1S/C18H23N5O4/c1-3-23-10(2)11(6-20-23)8-22-9-12(7-19-22)21-17(24)15-13-4-5-14(27-13)16(15)18(25)26/h6-7,9,13-16H,3-5,8H2,1-2H3,(H,21,24)(H,25,26)

InChI Key

PPQOYZMMWPSTTC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.877

Distribution Coefficient, logD

-0.639

Water Solubility, LogSw

-1.88

Polar Surface Area

88.793

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with Y503-1747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-1747?
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What is the minimum amount of Y503-1747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-1747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-1747
  • 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 Y503-1747 available by request