D717-0112 Screening compound: 6-bromo-N-[(thiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

D717-0112 Screening compound: 6-bromo-N-[(thiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
D717-0112 Screening compound: 6-bromo-N-[(thiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D717-0112
6-bromo-N-[(thiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

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

D717-0112

Molecular Formula

C12H9BrN4OS (C12 H9 BrN4 OS)

Compound Name

6-bromo-N-[(thiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

6-bromo-N-[(thiophen-2-yl)methyl]pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

O=C(c1c2ncc(Br)cn2nc1)NCc1cccs1

InChI

InChI=1S/C12H9BrN4OS/c13-8-4-14-11-10(6-16-17(11)7-8)12(18)15-5-9-2-1-3-19-9/h1-4,6-7H,5H2,(H,15,18)

InChI Key

QZUUNRSWPDXSIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06631098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.380

Distribution Coefficient, logD

2.380

Water Solubility, LogSw

-2.79

Polar Surface Area

46.658

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D717-0112 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 D717-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D717-0112?
Check Price and Availability of D717-0112, 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 D717-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D717-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D717-0112
  • 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 D717-0112 available by request