G751-1602 Screening compound: ethyl 2-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate

G751-1602 Screening compound: ethyl 2-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
G751-1602 Screening compound: ethyl 2-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-1602
ethyl 2-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate

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

G751-1602

Molecular Formula

C23H22N4O4S (C23 H22 N4 O4 S)

Compound Name

ethyl 2-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate

IUPAC name

ethyl 2-({[5-(4-methoxyphenyl)-4-methyl-4H-124-triazol-3-yl]sulfanyl}methyl)-4-oxo-14-dihydroquinoline-6-carboxylate

SMILES

CCOC(c(cc1)cc2c1NC(CSc1nnc(-c(cc3)ccc3OC)n1C)=CC2=O)=O

InChI

InChI=1S/C23H22N4O4S/c1-4-31-22(29)15-7-10-19-18(11-15)20(28)12-16(24-19)13-32-23-26-25-21(27(23)2)14-5-8-17(30-3)9-6-14/h5-12H,4,13H2,1-3H3,(H,24,28)

InChI Key

BYWBVROXYVRTST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.447

Distribution Coefficient, logD

4.264

Water Solubility, LogSw

-4.31

Polar Surface Area

78.143

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G751-1602 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G751-1602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-1602?
Check Price and Availability of G751-1602, 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 G751-1602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-1602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-1602
  • 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 G751-1602 available by request