Y041-5991 Screening compound: 3-(1-oxo-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propan-2-yl)-3,4-dihydro-1,2,3-benzotriazin-4-one

Y041-5991 Screening compound: 3-(1-oxo-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propan-2-yl)-3,4-dihydro-1,2,3-benzotriazin-4-one
Y041-5991 Screening compound: 3-(1-oxo-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propan-2-yl)-3,4-dihydro-1,2,3-benzotriazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5991
3-(1-oxo-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propan-2-yl)-3,4-dihydro-1,2,3-benzotriazin-4-one

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

Y041-5991

Molecular Formula

C20H19F3N6O2 (C20 H19 F3 N6 O2)

Compound Name

3-(1-oxo-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propan-2-yl)-3,4-dihydro-1,2,3-benzotriazin-4-one

IUPAC name

3-(1-oxo-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propan-2-yl)-34-dihydro-123-benzotriazin-4-one

SMILES

CC(C(N(CC1)CCN1c1ncc(C(F)(F)F)cc1)=O)N1N=Nc(cccc2)c2C1=O

InChI

InChI=1S/C20H19F3N6O2/c1-13(29-19(31)15-4-2-3-5-16(15)25-26-29)18(30)28-10-8-27(9-11-28)17-7-6-14(12-24-17)20(21,22)23/h2-7,12-13H,8-11H2,1H3/t13-/m0/s1

InChI Key

SQFOBIWHEKFEQZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD24852725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.67

Polar Surface Area

68.247

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

Y041-5991 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y041-5991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5991?
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What is the minimum amount of Y041-5991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5991
  • 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 Y041-5991 available by request