Y031-1774 Screening compound: 2-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide

Y031-1774 Screening compound: 2-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
Y031-1774 Screening compound: 2-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1774
2-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)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

Y031-1774

Molecular Formula

C14H17N3O3S2 (C14 H17 N3 O3 S2)

Compound Name

2-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-(benzenesulfonyl)-N-(5-tert-butyl-134-thiadiazol-2-yl)acetamide

SMILES

CC(C)(C)c1nnc(NC(CS(c2ccccc2)(=O)=O)=O)s1

InChI

InChI=1S/C14H17N3O3S2/c1-14(2,3)12-16-17-13(21-12)15-11(18)9-22(19,20)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,17,18)

InChI Key

LMYJBZWAQYUMQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07067334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

2.399

Water Solubility, LogSw

-2.90

Polar Surface Area

75.697

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

Y031-1774 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-1774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1774?
Check Price and Availability of Y031-1774, 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 Y031-1774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1774
  • 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 Y031-1774 available by request