K788-6840 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-(4-phenylbutan-2-yl)benzamide

K788-6840 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-(4-phenylbutan-2-yl)benzamide
K788-6840 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-(4-phenylbutan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6840
4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-(4-phenylbutan-2-yl)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

K788-6840

Molecular Formula

C33H29FN2O3 (C33 H29 FN2 O3)

Compound Name

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

IUPAC name

4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}-N-(4-phenylbutan-2-yl)benzamide

SMILES

CC(CCc1ccccc1)NC(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)=O

InChI

InChI=1S/C33H29FN2O3/c1-23(15-16-24-9-3-2-4-10-24)35-32(37)26-19-17-25(18-20-26)21-31-33(38)36(22-27-11-5-6-12-28(27)34)29-13-7-8-14-30(29)39-31/h2-14,17-21,23H,15-16,22H2,1H3,(H,35,37)/t23-/m0/s1

InChI Key

PUEXEQJSUIUFRF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15106774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.410

Distribution Coefficient, logD

6.410

Water Solubility, LogSw

-5.80

Polar Surface Area

46.888

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.20

K788-6840 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K788-6840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6840?
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What is the minimum amount of K788-6840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6840
  • 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 K788-6840 available by request