L785-0022 Screening compound: 1-(3,4-dimethylphenyl)-3-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea

L785-0022 Screening compound: 1-(3,4-dimethylphenyl)-3-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
L785-0022 Screening compound: 1-(3,4-dimethylphenyl)-3-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L785-0022
1-(3,4-dimethylphenyl)-3-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea

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

L785-0022

Molecular Formula

C20H18N6O2S2 (C20 H18 N6 O2 S2)

Compound Name

1-(3,4-dimethylphenyl)-3-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea

IUPAC name

1-(34-dimethylphenyl)-3-(5-{[(3-oxo-34-dihydroquinoxalin-2-yl)methyl]sulfanyl}-134-thiadiazol-2-yl)urea

SMILES

Cc(cc1)c(C)cc1NC(Nc1nnc(SCC2=Nc(cccc3)c3NC2=O)s1)=O

InChI

InChI=1S/C20H18N6O2S2/c1-11-7-8-13(9-12(11)2)21-18(28)24-19-25-26-20(30-19)29-10-16-17(27)23-15-6-4-3-5-14(15)22-16/h3-9H,10H2,1-2H3,(H,23,27)(H2,21,24,25,28)

InChI Key

VBVQGJNRGWAHQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.006

Distribution Coefficient, logD

5.006

Water Solubility, LogSw

-4.56

Polar Surface Area

88.066

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with L785-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L785-0022?
Check Price and Availability of L785-0022, 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 L785-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L785-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L785-0022
  • 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 L785-0022 available by request