Y031-0670 Screening compound: 2-(2,4-dichlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

Y031-0670 Screening compound: 2-(2,4-dichlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
Y031-0670 Screening compound: 2-(2,4-dichlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0670
2-(2,4-dichlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

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

Y031-0670

Molecular Formula

C14H15Cl2N3O2S (C14 H15 Cl2 N3 O2 S)

Compound Name

2-(2,4-dichlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

IUPAC name

2-(24-dichlorophenoxy)-N-(5-propyl-134-thiadiazol-2-yl)propanamide

SMILES

CCCc1nnc(NC(C(C)Oc(ccc(Cl)c2)c2Cl)=O)s1

InChI

InChI=1S/C14H15Cl2N3O2S/c1-3-4-12-18-19-14(22-12)17-13(20)8(2)21-11-6-5-9(15)7-10(11)16/h5-8H,3-4H2,1-2H3,(H,17,19,20)/t8-/m0/s1

InChI Key

CKXOWRRUYLSLMQ-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD05668576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

4.791

Water Solubility, LogSw

-4.89

Polar Surface Area

54.246

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

Y031-0670 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y031-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0670?
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What is the minimum amount of Y031-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0670
  • 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 Y031-0670 available by request