8629-0104 Screening compound: N-[2-(butan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]-2-chlorobenzamide

8629-0104 Screening compound: N-[2-(butan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]-2-chlorobenzamide
8629-0104 Screening compound: N-[2-(butan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]-2-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8629-0104
N-[2-(butan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]-2-chlorobenzamide

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

8629-0104

Molecular Formula

C16H15ClN4O2S (C16 H15 ClN4 O2 S)

Compound Name

N-[2-(butan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]-2-chlorobenzamide

IUPAC name

N-[2-(butan-2-yl)-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-6-yl]-2-chlorobenzamide

SMILES

CCC(C)C(SC1=NC=C2NC(c(cccc3)c3Cl)=O)=NN1C2=O

InChI

InChI=1S/C16H15ClN4O2S/c1-3-9(2)14-20-21-15(23)12(8-18-16(21)24-14)19-13(22)10-6-4-5-7-11(10)17/h4-9H,3H2,1-2H3,(H,19,22)/t9-/m0/s1

InChI Key

VLPDMSXNHJFKLD-VIFPVBQESA-N

MDL Number (MFCD)

MFCD09599230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

1.163

Water Solubility, LogSw

-3.73

Polar Surface Area

61.845

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8629-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8629-0104?
Check Price and Availability of 8629-0104, 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 8629-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8629-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8629-0104
  • 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 8629-0104 available by request