7399-0263 Screening compound: 2-methoxyethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-methylpyrimidine-5-carboxylate

7399-0263 Screening compound: 2-methoxyethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-methylpyrimidine-5-carboxylate
7399-0263 Screening compound: 2-methoxyethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-methylpyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7399-0263
2-methoxyethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-methylpyrimidine-5-carboxylate

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

7399-0263

Molecular Formula

C16H16N4O4 (C16 H16 N4 O4)

Compound Name

2-methoxyethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-methylpyrimidine-5-carboxylate

IUPAC name

2-methoxyethyl 2-[(13-benzoxazol-2-yl)amino]-4-methylpyrimidine-5-carboxylate

SMILES

Cc(nc(Nc1nc(cccc2)c2o1)nc1)c1C(OCCOC)=O

InChI

InChI=1S/C16H16N4O4/c1-10-11(14(21)23-8-7-22-2)9-17-15(18-10)20-16-19-12-5-3-4-6-13(12)24-16/h3-6,9H,7-8H2,1-2H3,(H,17,18,19,20)

InChI Key

DNYHQOSHWWSZOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.241

Distribution Coefficient, logD

2.235

Water Solubility, LogSw

-2.92

Polar Surface Area

77.740

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

7399-0263 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7399-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7399-0263?
Check Price and Availability of 7399-0263, 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 7399-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7399-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7399-0263
  • 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 7399-0263 available by request