K788-6813 Screening compound: 4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-[2-(dimethylamino)ethyl]benzamide

K788-6813 Screening compound: 4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-[2-(dimethylamino)ethyl]benzamide
K788-6813 Screening compound: 4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-[2-(dimethylamino)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6813
4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-[2-(dimethylamino)ethyl]benzamide

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

K788-6813

Molecular Formula

C27H26ClN3O3 (C27 H26 ClN3 O3)

Compound Name

4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-[2-(dimethylamino)ethyl]benzamide

IUPAC name

4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}-N-[2-(dimethylamino)ethyl]benzamide

SMILES

CN(C)CCNC(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cc3)ccc3Cl)C2=O)cc1)=O

InChI

InChI=1S/C27H26ClN3O3/c1-30(2)16-15-29-26(32)21-11-7-19(8-12-21)17-25-27(33)31(18-20-9-13-22(28)14-10-20)23-5-3-4-6-24(23)34-25/h3-14,17H,15-16,18H2,1-2H3,(H,29,32)

InChI Key

DSJCNXFCRBWQRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.442

Distribution Coefficient, logD

3.603

Water Solubility, LogSw

-4.96

Polar Surface Area

51.425

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with K788-6813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6813?
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What is the minimum amount of K788-6813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6813
  • 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 K788-6813 available by request