K505-0892 Screening compound: 1,3-dimethyl 5-{2-[(1E)-2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzene-1,3-dicarboxylate

K505-0892 Screening compound: 1,3-dimethyl 5-{2-[(1E)-2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzene-1,3-dicarboxylate
K505-0892 Screening compound: 1,3-dimethyl 5-{2-[(1E)-2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K505-0892
1,3-dimethyl 5-{2-[(1E)-2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzene-1,3-dicarboxylate

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

K505-0892

Molecular Formula

C33H24Cl2N2O6 (C33 H24 Cl2 N2 O6)

Compound Name

1,3-dimethyl 5-{2-[(1E)-2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{2-[(1E)-2-{4-[(34-dichlorophenyl)methoxy]phenyl}ethenyl]-4-oxo-34-dihydroquinazolin-3-yl}benzene-13-dicarboxylate

SMILES

COC(c1cc(N(C(/C=C/c(cc2)ccc2OCc(cc2)cc(Cl)c2Cl)=Nc2c3cccc2)C3=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C33H24Cl2N2O6/c1-41-32(39)22-16-23(33(40)42-2)18-24(17-22)37-30(36-29-6-4-3-5-26(29)31(37)38)14-10-20-7-11-25(12-8-20)43-19-21-9-13-27(34)28(35)15-21/h3-18H,19H2,1-2H3

InChI Key

PTLAYMYGQJEEQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.050

Distribution Coefficient, logD

7.050

Water Solubility, LogSw

-6.37

Polar Surface Area

74.169

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K505-0892 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K505-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K505-0892?
Check Price and Availability of K505-0892, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K505-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K505-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K505-0892
  • 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 K505-0892 available by request