Y030-7114 Screening compound: N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2,2-dimethylbutanamide

Y030-7114 Screening compound: N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2,2-dimethylbutanamide
Y030-7114 Screening compound: N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2,2-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-7114
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2,2-dimethylbutanamide

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

Y030-7114

Molecular Formula

C16H21N3O2S (C16 H21 N3 O2 S)

Compound Name

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

IUPAC name

N-{5-[(4-methoxyphenyl)methyl]-134-thiadiazol-2-yl}-22-dimethylbutanamide

SMILES

CCC(C)(C)C(Nc1nnc(Cc(cc2)ccc2OC)s1)=O

InChI

InChI=1S/C16H21N3O2S/c1-5-16(2,3)14(20)17-15-19-18-13(22-15)10-11-6-8-12(21-4)9-7-11/h6-9H,5,10H2,1-4H3,(H,17,19,20)

InChI Key

QUDSJQLZTHNDQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03352005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.43

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

4.170

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.18

Polar Surface Area

54.914

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

Y030-7114 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with Y030-7114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-7114?
Check Price and Availability of Y030-7114, 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 Y030-7114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-7114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-7114
  • 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 Y030-7114 available by request