6359-0058 Screening compound: 2-[(1,3-benzoxazol-2-yl)amino]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide

6359-0058 Screening compound: 2-[(1,3-benzoxazol-2-yl)amino]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
6359-0058 Screening compound: 2-[(1,3-benzoxazol-2-yl)amino]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6359-0058
2-[(1,3-benzoxazol-2-yl)amino]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide

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

6359-0058

Molecular Formula

C19H14FN5O2 (C19 H14 FN5 O2)

Compound Name

2-[(1,3-benzoxazol-2-yl)amino]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide

IUPAC name

2-[(13-benzoxazol-2-yl)amino]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide

SMILES

Cc(nc(Nc1nc(cccc2)c2o1)nc1)c1C(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C19H14FN5O2/c1-11-14(17(26)23-13-8-6-12(20)7-9-13)10-21-18(22-11)25-19-24-15-4-2-3-5-16(15)27-19/h2-10H,1H3,(H,23,26)(H,21,22,24,25)

InChI Key

MZJJZKZBGWXSSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03871835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.544

Water Solubility, LogSw

-3.98

Polar Surface Area

71.441

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

6359-0058 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6359-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6359-0058?
Check Price and Availability of 6359-0058, 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 6359-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6359-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6359-0058
  • 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 6359-0058 available by request