T841-2775 Screening compound: 4-benzyl-2-[(4-chloro-3-methylphenyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one

T841-2775 Screening compound: 4-benzyl-2-[(4-chloro-3-methylphenyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one
T841-2775 Screening compound: 4-benzyl-2-[(4-chloro-3-methylphenyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T841-2775
4-benzyl-2-[(4-chloro-3-methylphenyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-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

T841-2775

Molecular Formula

C21H17ClN4O (C21 H17 ClN4 O)

Compound Name

4-benzyl-2-[(4-chloro-3-methylphenyl)amino]-3H,4H-pyrido[3,4-b]pyrazin-3-one

IUPAC name

4-benzyl-2-[(4-chloro-3-methylphenyl)amino]-3H4H-pyrido[34-b]pyrazin-3-one

SMILES

Cc(cc(cc1)NC2=Nc(ccnc3)c3N(Cc3ccccc3)C2=O)c1Cl

InChI

InChI=1S/C21H17ClN4O/c1-14-11-16(7-8-17(14)22)24-20-21(27)26(13-15-5-3-2-4-6-15)19-12-23-10-9-18(19)25-20/h2-12H,13H2,1H3,(H,24,25)

InChI Key

NKGDTUMGVIIDIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.467

Water Solubility, LogSw

-4.50

Polar Surface Area

43.452

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

T841-2775 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T841-2775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T841-2775?
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What is the minimum amount of T841-2775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T841-2775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T841-2775
  • 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 T841-2775 available by request