F797-0436 Screening compound: N-[(3-chlorophenyl)methyl]-3-{7,8-dimethoxy-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}propanamide

F797-0436 Screening compound: N-[(3-chlorophenyl)methyl]-3-{7,8-dimethoxy-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}propanamide
F797-0436 Screening compound: N-[(3-chlorophenyl)methyl]-3-{7,8-dimethoxy-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F797-0436
N-[(3-chlorophenyl)methyl]-3-{7,8-dimethoxy-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}propanamide

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

F797-0436

Molecular Formula

C22H21ClN4O4 (C22 H21 ClN4 O4)

Compound Name

N-[(3-chlorophenyl)methyl]-3-{7,8-dimethoxy-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}propanamide

IUPAC name

N-[(3-chlorophenyl)methyl]-3-{78-dimethoxy-4-oxo-3H4H5H-pyrimido[54-b]indol-3-yl}propanamide

SMILES

COc(c(OC)c1)cc2c1[nH]c1c2N=CN(CCC(NCc2cccc(Cl)c2)=O)C1=O

InChI

InChI=1S/C22H21ClN4O4/c1-30-17-9-15-16(10-18(17)31-2)26-21-20(15)25-12-27(22(21)29)7-6-19(28)24-11-13-4-3-5-14(23)8-13/h3-5,8-10,12,26H,6-7,11H2,1-2H3,(H,24,28)

InChI Key

ZWPUDZZTLWZNCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.173

Distribution Coefficient, logD

2.173

Water Solubility, LogSw

-3.26

Polar Surface Area

74.008

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with F797-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F797-0436?
Check Price and Availability of F797-0436, 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 F797-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F797-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F797-0436
  • 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 F797-0436 available by request