Y040-2961 Screening compound: (2S)-N~1~-[4-(dimethylamino)phenyl]-3-methyl-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]butanamide

Y040-2961 Screening compound: (2S)-N~1~-[4-(dimethylamino)phenyl]-3-methyl-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]butanamide
Y040-2961 Screening compound: (2S)-N~1~-[4-(dimethylamino)phenyl]-3-methyl-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2961
(2S)-N~1~-[4-(dimethylamino)phenyl]-3-methyl-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]butanamide

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

Y040-2961

Molecular Formula

C20H23N5O2 (C20 H23 N5 O2)

Compound Name

(2S)-N~1~-[4-(dimethylamino)phenyl]-3-methyl-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]butanamide

IUPAC name

(2S)-N-[4-(dimethylamino)phenyl]-3-methyl-2-(4-oxo-34-dihydro-123-benzotriazin-3-yl)butanamide

SMILES

CC(C)C(C(Nc(cc1)ccc1N(C)C)=O)N1N=Nc(cccc2)c2C1=O

InChI

InChI=1S/C20H23N5O2/c1-13(2)18(19(26)21-14-9-11-15(12-10-14)24(3)4)25-20(27)16-7-5-6-8-17(16)22-23-25/h5-13,18H,1-4H3,(H,21,26)/t18-/m0/s1

InChI Key

BOVXVEDLTZDFIR-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

4.071

Water Solubility, LogSw

-4.26

Polar Surface Area

65.254

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with Y040-2961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2961?
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What is the minimum amount of Y040-2961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2961
  • 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 Y040-2961 available by request