C700-0435 Screening compound: (2E)-2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

C700-0435 Screening compound: (2E)-2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
C700-0435 Screening compound: (2E)-2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0435
(2E)-2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-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

C700-0435

Molecular Formula

C35H32ClN3O3 (C35 H32 ClN3 O3)

Compound Name

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

IUPAC name

(2E)-2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc1cccc(CN(c(cccc2)c2O/C2=C/c(cc3)ccc3C(N(CC3)CCN3c3c(C)ccc(Cl)c3)=O)C2=O)c1

InChI

InChI=1S/C35H32ClN3O3/c1-24-6-5-7-27(20-24)23-39-30-8-3-4-9-32(30)42-33(35(39)41)21-26-11-13-28(14-12-26)34(40)38-18-16-37(17-19-38)31-22-29(36)15-10-25(31)2/h3-15,20-22H,16-19,23H2,1-2H3

InChI Key

PJHBZNQXUFLJNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.11

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

7.491

Distribution Coefficient, logD

7.491

Water Solubility, LogSw

-6.34

Polar Surface Area

42.640

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C700-0435 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C700-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0435?
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What is the minimum amount of C700-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0435
  • 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 C700-0435 available by request