K788-5301 Screening compound: 2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}acetamide

K788-5301 Screening compound: 2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}acetamide
K788-5301 Screening compound: 2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5301
2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}acetamide

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

K788-5301

Molecular Formula

C29H28Cl2N4O3 (C29 H28 Cl2 N4 O3)

Compound Name

2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}acetamide

IUPAC name

2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}acetamide

SMILES

O=C(CN(c(cccc1)c1O/C1=C/c2cc(Cl)ccc2)C1=O)NCCN(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C29H28Cl2N4O3/c30-22-6-3-5-21(17-22)18-27-29(37)35(25-9-1-2-10-26(25)38-27)20-28(36)32-11-12-33-13-15-34(16-14-33)24-8-4-7-23(31)19-24/h1-10,17-19H,11-16,20H2,(H,32,36)

InChI Key

UYOVOKPPWZOLKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.765

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.99

Polar Surface Area

54.589

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with K788-5301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5301?
Check Price and Availability of K788-5301, 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 K788-5301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5301
  • 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 K788-5301 available by request