D717-0002 Screening compound: 6-BROMO-N-BUTYLPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE

D717-0002 Screening compound: 6-BROMO-N-BUTYLPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE
D717-0002 Screening compound: 6-BROMO-N-BUTYLPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound D717-0002
6-BROMO-N-BUTYLPYRAZOLO[1,5-A]PYRIMIDINE-2-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

D717-0002

Molecular Formula

C11H13BrN4O (C11 H13 BrN4 O)

Compound Name

6-BROMO-N-BUTYLPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CCCCNC(c1nn(cc(cn2)Br)c2c1)=O

InChI

InChI=1S/C11H13BrN4O/c1-2-3-4-13-11(17)9-5-10-14-6-8(12)7-16(10)15-9/h5-7H,2-4H2,1H3,(H,13,17)

InChI Key

XQHDJYBGLCZWLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00297902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

2.210

Water Solubility, LogSw

-2.53

Polar Surface Area

44.982

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

D717-0002 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D717-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D717-0002?
Check Price and Availability of D717-0002, 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 D717-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D717-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D717-0002
  • 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 D717-0002 available by request