C200-7771 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-{8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}acetamide

C200-7771 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-{8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}acetamide
C200-7771 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-{8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7771
N-[(2-ethoxyphenyl)methyl]-2-{8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}acetamide

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

C200-7771

Molecular Formula

C22H22N4O3 (C22 H22 N4 O3)

Compound Name

N-[(2-ethoxyphenyl)methyl]-2-{8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}acetamide

IUPAC name

N-[(2-ethoxyphenyl)methyl]-2-{8-methyl-4-oxo-3H4H5H-pyrimido[54-b]indol-3-yl}acetamide

SMILES

CCOc1c(CNC(CN(C=Nc2c3[nH]c4c2cc(C)cc4)C3=O)=O)cccc1

InChI

InChI=1S/C22H22N4O3/c1-3-29-18-7-5-4-6-15(18)11-23-19(27)12-26-13-24-20-16-10-14(2)8-9-17(16)25-21(20)22(26)28/h4-10,13,25H,3,11-12H2,1-2H3,(H,23,27)

InChI Key

YPYCXNJGSVBNQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.774

Distribution Coefficient, logD

2.774

Water Solubility, LogSw

-3.03

Polar Surface Area

65.979

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C200-7771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7771?
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What is the minimum amount of C200-7771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7771
  • 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 C200-7771 available by request