K788-6927 Screening compound: 4-{[(2E)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-(3-methoxypropyl)benzamide

K788-6927 Screening compound: 4-{[(2E)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-(3-methoxypropyl)benzamide
K788-6927 Screening compound: 4-{[(2E)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-(3-methoxypropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6927
4-{[(2E)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-(3-methoxypropyl)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

K788-6927

Molecular Formula

C27H25ClN2O4 (C27 H25 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C27H25ClN2O4/c1-33-16-4-15-29-26(31)21-11-7-19(8-12-21)17-25-27(32)30(18-20-9-13-22(28)14-10-20)23-5-2-3-6-24(23)34-25/h2-3,5-14,17H,4,15-16,18H2,1H3,(H,29,31)

InChI Key

VWDYWBQFGSLNMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.799

Distribution Coefficient, logD

4.799

Water Solubility, LogSw

-5.20

Polar Surface Area

55.902

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with K788-6927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6927?
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What is the minimum amount of K788-6927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6927
  • 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 K788-6927 available by request