K788-6785 Screening compound: N-[2-(azepan-1-yl)ethyl]-4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

K788-6785 Screening compound: N-[2-(azepan-1-yl)ethyl]-4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide
K788-6785 Screening compound: N-[2-(azepan-1-yl)ethyl]-4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6785
N-[2-(azepan-1-yl)ethyl]-4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}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

K788-6785

Molecular Formula

C31H32ClN3O3 (C31 H32 ClN3 O3)

Compound Name

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

IUPAC name

N-[2-(azepan-1-yl)ethyl]-4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}benzamide

SMILES

O=C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cc3)ccc3Cl)C2=O)cc1)NCCN1CCCCCC1

InChI

InChI=1S/C31H32ClN3O3/c32-26-15-11-24(12-16-26)22-35-27-7-3-4-8-28(27)38-29(31(35)37)21-23-9-13-25(14-10-23)30(36)33-17-20-34-18-5-1-2-6-19-34/h3-4,7-16,21H,1-2,5-6,17-20,22H2,(H,33,36)

InChI Key

PRJSPTQMMYIUBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.07

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

5.781

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-6.21

Polar Surface Area

51.601

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

References: we are preparing a list of scientific research reports with K788-6785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6785?
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What is the minimum amount of K788-6785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6785
  • 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 K788-6785 available by request