7706-0622 Screening compound: methyl 4-{7-methyl-1H,2H,3H-pyrrolo[2,3-b]quinolin-1-yl}benzoate

7706-0622 Screening compound: methyl 4-{7-methyl-1H,2H,3H-pyrrolo[2,3-b]quinolin-1-yl}benzoate
7706-0622 Screening compound: methyl 4-{7-methyl-1H,2H,3H-pyrrolo[2,3-b]quinolin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0622
methyl 4-{7-methyl-1H,2H,3H-pyrrolo[2,3-b]quinolin-1-yl}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

7706-0622

Molecular Formula

C20H18N2O2 (C20 H18 N2 O2)

Compound Name

methyl 4-{7-methyl-1H,2H,3H-pyrrolo[2,3-b]quinolin-1-yl}benzoate

IUPAC name

methyl 4-{7-methyl-1H2H3H-pyrrolo[23-b]quinolin-1-yl}benzoate

SMILES

Cc1ccc(cc(CCN2c(cc3)ccc3C(OC)=O)c2n2)c2c1

InChI

InChI=1S/C20H18N2O2/c1-13-3-4-15-12-16-9-10-22(19(16)21-18(15)11-13)17-7-5-14(6-8-17)20(23)24-2/h3-8,11-12H,9-10H2,1-2H3

InChI Key

VJUFHSYYFLMUNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06496304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.109

Distribution Coefficient, logD

5.069

Water Solubility, LogSw

-5.23

Polar Surface Area

33.509

Acid Dissociation Constant (pKa)

22.17

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

7706-0622 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 7706-0622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0622?
Check Price and Availability of 7706-0622, 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 7706-0622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0622
  • 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 7706-0622 available by request