F394-0112 Screening compound: methyl 4-(2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate

F394-0112 Screening compound: methyl 4-(2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate
F394-0112 Screening compound: methyl 4-(2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F394-0112
methyl 4-(2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate

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

F394-0112

Molecular Formula

C28H24N4O5 (C28 H24 N4 O5)

Compound Name

methyl 4-(2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate

IUPAC name

methyl 4-(2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H4H5H-pyrimido[54-b]indol-5-yl}acetamido)benzoate

SMILES

COC(c(cc1)ccc1NC(Cn(c1c2cccc1)c1c2N=CN(Cc(cc2)ccc2OC)C1=O)=O)=O

InChI

InChI=1S/C28H24N4O5/c1-36-21-13-7-18(8-14-21)15-31-17-29-25-22-5-3-4-6-23(22)32(26(25)27(31)34)16-24(33)30-20-11-9-19(10-12-20)28(35)37-2/h3-14,17H,15-16H2,1-2H3,(H,30,33)

InChI Key

ZNJXIUVGOWQEDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27122324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.030

Water Solubility, LogSw

-4.23

Polar Surface Area

76.795

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with F394-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F394-0112?
Check Price and Availability of F394-0112, 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 F394-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F394-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F394-0112
  • 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 F394-0112 available by request