Z601-6128 Screening compound: 2-(7-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide

Z601-6128 Screening compound: 2-(7-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
Z601-6128 Screening compound: 2-(7-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Z601-6128
2-(7-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide

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

Z601-6128

Molecular Formula

C12H13ClN2O3 (C12 H13 ClN2 O3)

Compound Name

2-(7-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide

IUPAC name

2-(7-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-NN-dimethylacetamide

SMILES

CN(C)C(CN1c(ccc(Cl)c2)c2OCC1=O)=O

InChI

InChI=1S/C12H13ClN2O3/c1-14(2)11(16)6-15-9-4-3-8(13)5-10(9)18-7-12(15)17/h3-5H,6-7H2,1-2H3

InChI Key

FIQGIQKJKVPIRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27639668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.821

Distribution Coefficient, logD

0.821

Water Solubility, LogSw

-2.24

Polar Surface Area

39.813

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Z601-6128 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Z601-6128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z601-6128?
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What is the minimum amount of Z601-6128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z601-6128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z601-6128
  • 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 Z601-6128 available by request