K788-6841 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}benzamide

K788-6841 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}benzamide
K788-6841 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6841
4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}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

K788-6841

Molecular Formula

C36H34F2N4O3 (C36 H34 F2 N4 O3)

Compound Name

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

IUPAC name

4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}benzamide

SMILES

O=C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)NCCCN(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C36H34F2N4O3/c37-29-14-16-30(17-15-29)41-22-20-40(21-23-41)19-5-18-39-35(43)27-12-10-26(11-13-27)24-34-36(44)42(25-28-6-1-2-7-31(28)38)32-8-3-4-9-33(32)45-34/h1-4,6-17,24H,5,18-23,25H2,(H,39,43)

InChI Key

LFDRVLWHAYGSCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

608.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.729

Distribution Coefficient, logD

5.185

Water Solubility, LogSw

-5.86

Polar Surface Area

54.530

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with K788-6841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6841?
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What is the minimum amount of K788-6841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6841
  • 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 K788-6841 available by request