Y030-9014 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-ethylbutanamide

Y030-9014 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-ethylbutanamide
Y030-9014 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9014
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-ethylbutanamide

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

Y030-9014

Molecular Formula

C17H23N3O3S (C17 H23 N3 O3 S)

Compound Name

N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-ethylbutanamide

IUPAC name

N-{5-[(34-dimethoxyphenyl)methyl]-134-thiadiazol-2-yl}-2-ethylbutanamide

SMILES

CCC(CC)C(Nc1nnc(Cc(cc2)cc(OC)c2OC)s1)=O

InChI

InChI=1S/C17H23N3O3S/c1-5-12(6-2)16(21)18-17-20-19-15(24-17)10-11-7-8-13(22-3)14(9-11)23-4/h7-9,12H,5-6,10H2,1-4H3,(H,18,20,21)

InChI Key

MQLVWXGRWIMCDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03930415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

3.366

Water Solubility, LogSw

-3.64

Polar Surface Area

62.631

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

Y030-9014 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with Y030-9014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9014?
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What is the minimum amount of Y030-9014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9014
  • 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 Y030-9014 available by request