C700-0465 Screening compound: (2E)-4-[(3-methylphenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzoxazin-3-one

C700-0465 Screening compound: (2E)-4-[(3-methylphenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzoxazin-3-one
C700-0465 Screening compound: (2E)-4-[(3-methylphenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0465
(2E)-4-[(3-methylphenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-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

C700-0465

Molecular Formula

C32H29N5O3 (C32 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CN(c(cccc2)c2O/C2=C/c(cc3)ccc3C(N(CC3)CCN3c3ncccn3)=O)C2=O)c1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.373

Distribution Coefficient, logD

5.373

Water Solubility, LogSw

-5.38

Polar Surface Area

61.304

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with C700-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0465?
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What is the minimum amount of C700-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0465
  • 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 C700-0465 available by request