Y020-7116 Screening compound: 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N~5~-[2-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide

Y020-7116 Screening compound: 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N~5~-[2-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide
Y020-7116 Screening compound: 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N~5~-[2-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7116
2-(1,3-benzoxazol-2-ylamino)-4-methyl-N~5~-[2-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide

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

Y020-7116

Molecular Formula

C20H14F3N5O2 (C20 H14 F3 N5 O2)

Compound Name

2-(1,3-benzoxazol-2-ylamino)-4-methyl-N~5~-[2-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide

IUPAC name

n/a

SMILES

Cc(nc(Nc1nc(cccc2)c2o1)nc1)c1C(Nc1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C20H14F3N5O2/c1-11-12(17(29)26-14-7-3-2-6-13(14)20(21,22)23)10-24-18(25-11)28-19-27-15-8-4-5-9-16(15)30-19/h2-10H,1H3,(H,26,29)(H,24,25,27,28)

InChI Key

NFUVKINFNJQJER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04187814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.333

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.35

Polar Surface Area

70.743

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

Y020-7116 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-7116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7116?
Check Price and Availability of Y020-7116, 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 Y020-7116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7116
  • 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 Y020-7116 available by request