8014-5906 Screening compound: 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2,5-dimethylphenyl)acetamide

8014-5906 Screening compound: 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2,5-dimethylphenyl)acetamide
8014-5906 Screening compound: 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5906
2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2,5-dimethylphenyl)acetamide

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

8014-5906

Molecular Formula

C18H18ClN5OS (C18 H18 ClN5 OS)

Compound Name

2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2,5-dimethylphenyl)acetamide

IUPAC name

2-{[4-amino-5-(4-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}-N-(25-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CSc2nnc(-c(cc3)ccc3Cl)n2N)=O)c(C)cc1

InChI

InChI=1S/C18H18ClN5OS/c1-11-3-4-12(2)15(9-11)21-16(25)10-26-18-23-22-17(24(18)20)13-5-7-14(19)8-6-13/h3-9H,10,20H2,1-2H3,(H,21,25)

InChI Key

DVDZJGKNVYSMJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03494481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.56

Polar Surface Area

64.591

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8014-5906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5906?
Check Price and Availability of 8014-5906, 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 8014-5906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5906
  • 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 8014-5906 available by request