L785-0030 Screening compound: N-(3-CHLORO-4-FLUOROPHENYL)-N'-(5-{[(3-OXO-3,4-DIHYDRO-2-QUINOXALINYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)UREA

L785-0030 Screening compound: N-(3-CHLORO-4-FLUOROPHENYL)-N'-(5-{[(3-OXO-3,4-DIHYDRO-2-QUINOXALINYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)UREA
L785-0030 Screening compound: N-(3-CHLORO-4-FLUOROPHENYL)-N'-(5-{[(3-OXO-3,4-DIHYDRO-2-QUINOXALINYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound L785-0030
N-(3-CHLORO-4-FLUOROPHENYL)-N'-(5-{[(3-OXO-3,4-DIHYDRO-2-QUINOXALINYL)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

L785-0030

Molecular Formula

C18H12ClFN6O2S2 (C18 H12 ClFN6 O2 S2)

Compound Name

N-(3-CHLORO-4-FLUOROPHENYL)-N'-(5-{[(3-OXO-3,4-DIHYDRO-2-QUINOXALINYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)UREA

IUPAC name

n/a

SMILES

O=C(Nc1nnc(SCC2=Nc(cccc3)c3NC2=O)s1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C18H12ClFN6O2S2/c19-10-7-9(5-6-11(10)20)21-16(28)24-17-25-26-18(30-17)29-8-14-15(27)23-13-4-2-1-3-12(13)22-14/h1-7H,8H2,(H,23,27)(H2,21,24,25,28)

InChI Key

JCZLWVKEPFADRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.92

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

4.749

Distribution Coefficient, logD

4.747

Water Solubility, LogSw

-5.02

Polar Surface Area

88.066

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

L785-0030 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 L785-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L785-0030?
Check Price and Availability of L785-0030, 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 L785-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L785-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L785-0030
  • 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 L785-0030 available by request