K788-5692 Screening compound: (2E)-2-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

K788-5692 Screening compound: (2E)-2-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
K788-5692 Screening compound: (2E)-2-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5692
(2E)-2-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

K788-5692

Molecular Formula

C36H35N3O3 (C36 H35 N3 O3)

Compound Name

(2E)-2-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

(2E)-2-({4-[4-(25-dimethylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(4-methylphenyl)methyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc1ccc(CN(c(cccc2)c2O/C2=C/c(cc3)ccc3C(N(CC3)CCN3c3c(C)ccc(C)c3)=O)C2=O)cc1

InChI

InChI=1S/C36H35N3O3/c1-25-9-12-29(13-10-25)24-39-31-6-4-5-7-33(31)42-34(36(39)41)23-28-14-16-30(17-15-28)35(40)38-20-18-37(19-21-38)32-22-26(2)8-11-27(32)3/h4-17,22-23H,18-21,24H2,1-3H3

InChI Key

DESINQXBDHHRJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.143

Distribution Coefficient, logD

7.143

Water Solubility, LogSw

-5.58

Polar Surface Area

42.640

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with K788-5692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5692?
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What is the minimum amount of K788-5692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5692
  • 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 K788-5692 available by request