C090-0378 Screening compound: 3-[4-(5-chloro-2-methoxybenzyl)piperazino]-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one

C090-0378 Screening compound: 3-[4-(5-chloro-2-methoxybenzyl)piperazino]-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one
C090-0378 Screening compound: 3-[4-(5-chloro-2-methoxybenzyl)piperazino]-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C090-0378
3-[4-(5-chloro-2-methoxybenzyl)piperazino]-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-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

C090-0378

Molecular Formula

C35H33ClN4O6 (C35 H33 ClN4 O6)

Compound Name

3-[4-(5-chloro-2-methoxybenzyl)piperazino]-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd]isoxazol-6-one

IUPAC name

12-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-10-[(345-trimethoxyphenyl)amino]-15-oxa-14-azatetracyclo[7.6.1.0^{27}.0^{1316}]hexadeca-1(16)24691113-heptaen-8-one

SMILES

COc(cc1)c(CN(CC2)CCN2c(c2noc(-c3c4cccc3)c22)cc(Nc(cc3OC)cc(OC)c3OC)c2C4=O)cc1Cl

InChI

InChI=1S/C35H33ClN4O6/c1-42-27-10-9-21(36)15-20(27)19-39-11-13-40(14-12-39)26-18-25(37-22-16-28(43-2)35(45-4)29(17-22)44-3)30-31-32(26)38-46-34(31)24-8-6-5-7-23(24)33(30)41/h5-10,15-18,37H,11-14,19H2,1-4H3

InChI Key

XKAUGWLKSRKWHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

641.12

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.071

Distribution Coefficient, logD

7.049

Water Solubility, LogSw

-6.48

Polar Surface Area

80.696

Acid Dissociation Constant (pKa)

16.81

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.70

References: we are preparing a list of scientific research reports with C090-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C090-0378?
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What is the minimum amount of C090-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C090-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C090-0378
  • 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 C090-0378 available by request