E898-1667 Screening compound: 3-[3-(2-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(3,4,5-trimethoxyphenyl)propanamide

E898-1667 Screening compound: 3-[3-(2-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(3,4,5-trimethoxyphenyl)propanamide
E898-1667 Screening compound: 3-[3-(2-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(3,4,5-trimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E898-1667
3-[3-(2-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(3,4,5-trimethoxyphenyl)propanamide

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

E898-1667

Molecular Formula

C23H21ClN4O6 (C23 H21 ClN4 O6)

Compound Name

3-[3-(2-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(3,4,5-trimethoxyphenyl)propanamide

IUPAC name

3-[3-(2-chlorophenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]-N-(345-trimethoxyphenyl)propanamide

SMILES

COc1cc(NC(CCN(C=Nc2c3c(-c(cccc4)c4Cl)no2)C3=O)=O)cc(OC)c1OC

InChI

InChI=1S/C23H21ClN4O6/c1-31-16-10-13(11-17(32-2)21(16)33-3)26-18(29)8-9-28-12-25-22-19(23(28)30)20(27-34-22)14-6-4-5-7-15(14)24/h4-7,10-12H,8-9H2,1-3H3,(H,26,29)

InChI Key

KBQSBNDQVFYKPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.9

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.199

Distribution Coefficient, logD

2.197

Water Solubility, LogSw

-3.61

Polar Surface Area

93.807

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with E898-1667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E898-1667?
Check Price and Availability of E898-1667, 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 E898-1667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E898-1667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E898-1667
  • 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 E898-1667 available by request