C999-0095 Screening compound: ethyl 2-(2-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}acetamido)propanoate

C999-0095 Screening compound: ethyl 2-(2-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}acetamido)propanoate
C999-0095 Screening compound: ethyl 2-(2-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}acetamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0095
ethyl 2-(2-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}acetamido)propanoate

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

C999-0095

Molecular Formula

C22H26N4O3 (C22 H26 N4 O3)

Compound Name

ethyl 2-(2-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}acetamido)propanoate

IUPAC name

ethyl 2-(2-{257-trimethyl-3-phenylpyrazolo[15-a]pyrimidin-6-yl}acetamido)propanoate

SMILES

CCOC(C(C)NC(Cc1c(C)n2nc(C)c(-c3ccccc3)c2nc1C)=O)=O

InChI

InChI=1S/C22H26N4O3/c1-6-29-22(28)15(4)23-19(27)12-18-13(2)24-21-20(17-10-8-7-9-11-17)14(3)25-26(21)16(18)5/h7-11,15H,6,12H2,1-5H3,(H,23,27)/t15-/m0/s1

InChI Key

TWFKLFOEEVVINB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14809688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.687

Distribution Coefficient, logD

2.687

Water Solubility, LogSw

-2.93

Polar Surface Area

65.232

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with C999-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0095?
Check Price and Availability of C999-0095, 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 C999-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0095
  • 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 C999-0095 available by request