8012-9692 Screening compound: 4-[7-(chlorodifluoromethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]thiomorpholine

8012-9692 Screening compound: 4-[7-(chlorodifluoromethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]thiomorpholine
8012-9692 Screening compound: 4-[7-(chlorodifluoromethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9692
4-[7-(chlorodifluoromethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]thiomorpholine

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

8012-9692

Molecular Formula

C16H13ClF2N4OS2 (C16 H13 ClF2 N4 OS2)

Compound Name

4-[7-(chlorodifluoromethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]thiomorpholine

IUPAC name

4-[7-(chlorodifluoromethyl)-5-(thiophen-2-yl)pyrazolo[15-a]pyrimidine-2-carbonyl]thiomorpholine

SMILES

O=C(c1nn2c(C(F)(F)Cl)cc(-c3cccs3)nc2c1)N1CCSCC1

InChI

InChI=1S/C16H13ClF2N4OS2/c17-16(18,19)13-8-10(12-2-1-5-26-12)20-14-9-11(21-23(13)14)15(24)22-3-6-25-7-4-22/h1-2,5,8-9H,3-4,6-7H2

InChI Key

KGEPFCLOWSDBLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

3.798

Water Solubility, LogSw

-4.34

Polar Surface Area

36.064

Acid Dissociation Constant (pKa)

28.74

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8012-9692 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8012-9692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9692?
Check Price and Availability of 8012-9692, 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 8012-9692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9692
  • 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 8012-9692 available by request