L150-0788 Screening compound: N-(5-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide

L150-0788 Screening compound: N-(5-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
L150-0788 Screening compound: N-(5-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L150-0788
N-(5-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide

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

L150-0788

Molecular Formula

C20H16FN5O2S2 (C20 H16 FN5 O2 S2)

Compound Name

N-(5-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide

IUPAC name

N-(5-{[(67-dimethyl-3-oxo-34-dihydroquinoxalin-2-yl)methyl]sulfanyl}-134-thiadiazol-2-yl)-4-fluorobenzamide

SMILES

Cc(c(C)c1)cc(N2)c1N=C(CSc1nnc(NC(c(cc3)ccc3F)=O)s1)C2=O

InChI

InChI=1S/C20H16FN5O2S2/c1-10-7-14-15(8-11(10)2)23-18(28)16(22-14)9-29-20-26-25-19(30-20)24-17(27)12-3-5-13(21)6-4-12/h3-8H,9H2,1-2H3,(H,23,28)(H,24,25,27)

InChI Key

NWWHCHZAGWLLAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

4.201

Water Solubility, LogSw

-4.23

Polar Surface Area

78.854

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

L150-0788 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L150-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L150-0788?
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What is the minimum amount of L150-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L150-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L150-0788
  • 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 L150-0788 available by request