8017-7022 Screening compound: dimethyl 5-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}isophthalate

8017-7022 Screening compound: dimethyl 5-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}isophthalate
8017-7022 Screening compound: dimethyl 5-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7022
dimethyl 5-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}isophthalate

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

8017-7022

Molecular Formula

C16H17N3O5 (C16 H17 N3 O5)

Compound Name

dimethyl 5-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}isophthalate

IUPAC name

13-dimethyl 5-(15-dimethyl-1H-pyrazole-4-amido)benzene-13-dicarboxylate

SMILES

Cc(n(C)nc1)c1C(Nc1cc(C(OC)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C16H17N3O5/c1-9-13(8-17-19(9)2)14(20)18-12-6-10(15(21)23-3)5-11(7-12)16(22)24-4/h5-8H,1-4H3,(H,18,20)

InChI Key

SFKSTYODIAQLFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.108

Distribution Coefficient, logD

2.106

Water Solubility, LogSw

-2.72

Polar Surface Area

80.164

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8017-7022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7022?
Check Price and Availability of 8017-7022, 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 8017-7022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7022
  • 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 8017-7022 available by request