G663-1168 Screening compound: methyl 4-({7-methyl-4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}methyl)benzoate

G663-1168 Screening compound: methyl 4-({7-methyl-4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}methyl)benzoate
G663-1168 Screening compound: methyl 4-({7-methyl-4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G663-1168
methyl 4-({7-methyl-4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}methyl)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

G663-1168

Molecular Formula

C21H21N3O3 (C21 H21 N3 O3)

Compound Name

methyl 4-({7-methyl-4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}methyl)benzoate

IUPAC name

methyl 4-({7-methyl-4-oxo-3H4H6H7H8H9H-pyrimido[45-b]quinolin-3-yl}methyl)benzoate

SMILES

CC1Cc2cc(C(N(Cc(cc3)ccc3C(OC)=O)C=N3)=O)c3nc2CC1

InChI

InChI=1S/C21H21N3O3/c1-13-3-8-18-16(9-13)10-17-19(23-18)22-12-24(20(17)25)11-14-4-6-15(7-5-14)21(26)27-2/h4-7,10,12-13H,3,8-9,11H2,1-2H3/t13-/m1/s1

InChI Key

LHXMNKLPFDIJFH-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD15027154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.668

Water Solubility, LogSw

-3.92

Polar Surface Area

58.126

Acid Dissociation Constant (pKa)

23.15

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G663-1168 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G663-1168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G663-1168?
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What is the minimum amount of G663-1168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G663-1168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G663-1168
  • 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 G663-1168 available by request