2900-0312 Screening compound: N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-fluorobenzamide

2900-0312 Screening compound: N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-fluorobenzamide
2900-0312 Screening compound: N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2900-0312
N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-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

2900-0312

Molecular Formula

C19H18FN3O3S2 (C19 H18 FN3 O3 S2)

Compound Name

N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-fluorobenzamide

IUPAC name

N-{5-[2-(34-dimethylbenzenesulfonyl)ethyl]-134-thiadiazol-2-yl}-4-fluorobenzamide

SMILES

Cc(cc1)c(C)cc1S(CCc1nnc(NC(c(cc2)ccc2F)=O)s1)(=O)=O

InChI

InChI=1S/C19H18FN3O3S2/c1-12-3-8-16(11-13(12)2)28(25,26)10-9-17-22-23-19(27-17)21-18(24)14-4-6-15(20)7-5-14/h3-8,11H,9-10H2,1-2H3,(H,21,23,24)

InChI Key

KZQARXKALSBJKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.992

Distribution Coefficient, logD

2.390

Water Solubility, LogSw

-4.12

Polar Surface Area

76.135

Acid Dissociation Constant (pKa)

5.81

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

2900-0312 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2900-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2900-0312?
Check Price and Availability of 2900-0312, 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 2900-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2900-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2900-0312
  • 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 2900-0312 available by request