5628-0521 Screening compound: 4-{[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate

5628-0521 Screening compound: 4-{[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate
5628-0521 Screening compound: 4-{[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5628-0521
4-{[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate

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

5628-0521

Molecular Formula

C16H19N3O3S (C16 H19 N3 O3 S)

Compound Name

4-{[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate

IUPAC name

4-{[5-(22-dimethylpropyl)-134-thiadiazol-2-yl]carbamoyl}phenyl acetate

SMILES

CC(C)(C)Cc1nnc(NC(c(cc2)ccc2OC(C)=O)=O)s1

InChI

InChI=1S/C16H19N3O3S/c1-10(20)22-12-7-5-11(6-8-12)14(21)17-15-19-18-13(23-15)9-16(2,3)4/h5-8H,9H2,1-4H3,(H,17,19,21)

InChI Key

NQMKWHDMQFNTJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03616216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.461

Distribution Coefficient, logD

2.952

Water Solubility, LogSw

-3.77

Polar Surface Area

68.121

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

5628-0521 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5628-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5628-0521?
Check Price and Availability of 5628-0521, 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 5628-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5628-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5628-0521
  • 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 5628-0521 available by request