G856-9863 Screening compound: methyl 4-[2-({5-[(cyclohexylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]benzoate

G856-9863 Screening compound: methyl 4-[2-({5-[(cyclohexylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]benzoate
G856-9863 Screening compound: methyl 4-[2-({5-[(cyclohexylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9863
methyl 4-[2-({5-[(cyclohexylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]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

G856-9863

Molecular Formula

C19H23N5O4S2 (C19 H23 N5 O4 S2)

Compound Name

methyl 4-[2-({5-[(cyclohexylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 4-[2-({5-[(cyclohexylcarbamoyl)amino]-134-thiadiazol-2-yl}sulfanyl)acetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1nnc(NC(NC2CCCCC2)=O)s1)=O)=O

InChI

InChI=1S/C19H23N5O4S2/c1-28-16(26)12-7-9-14(10-8-12)20-15(25)11-29-19-24-23-18(30-19)22-17(27)21-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,20,25)(H2,21,22,23,27)

InChI Key

CXLZZNGERVZSTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07649639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

4.078

Water Solubility, LogSw

-4.13

Polar Surface Area

100.546

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

G856-9863 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G856-9863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9863?
Check Price and Availability of G856-9863, 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 G856-9863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9863
  • 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 G856-9863 available by request