G869-0056 Screening compound: N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-4-(trifluoromethyl)benzamide

G869-0056 Screening compound: N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-4-(trifluoromethyl)benzamide
G869-0056 Screening compound: N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-0056
N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-4-(trifluoromethyl)benzamide

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

G869-0056

Molecular Formula

C21H20F3N5O (C21 H20 F3 N5 O)

Compound Name

N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-4-(trifluoromethyl)benzamide

IUPAC name

N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-4-(trifluoromethyl)benzamide

SMILES

CCNc1cc(C)nc(Nc(cc2)ccc2NC(c2ccc(C(F)(F)F)cc2)=O)n1

InChI

InChI=1S/C21H20F3N5O/c1-3-25-18-12-13(2)26-20(29-18)28-17-10-8-16(9-11-17)27-19(30)14-4-6-15(7-5-14)21(22,23)24/h4-12H,3H2,1-2H3,(H,27,30)(H2,25,26,28,29)

InChI Key

SOUYLCOTYOTGCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.815

Distribution Coefficient, logD

4.676

Water Solubility, LogSw

-4.57

Polar Surface Area

62.453

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G869-0056 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with G869-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-0056?
Check Price and Availability of G869-0056, 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 G869-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-0056
  • 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 G869-0056 available by request