1890-0393 Screening compound: 2,4-diethyl 5-[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate

1890-0393 Screening compound: 2,4-diethyl 5-[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate
1890-0393 Screening compound: 2,4-diethyl 5-[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1890-0393
2,4-diethyl 5-[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate

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

1890-0393

Molecular Formula

C26H22BrF3N4O6S (C26 H22 BrF3 N4 O6 S)

Compound Name

2,4-diethyl 5-[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)ccc4OC)nc3c2Br)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C26H22BrF3N4O6S/c1-5-39-24(36)17-12(3)20(25(37)40-6-2)41-23(17)32-22(35)19-18(27)21-31-15(13-7-9-14(38-4)10-8-13)11-16(26(28,29)30)34(21)33-19/h7-11H,5-6H2,1-4H3,(H,32,35)

InChI Key

IBYBVLCVOCMVGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00291591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

655.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.203

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-5.60

Polar Surface Area

91.651

Acid Dissociation Constant (pKa)

3.99

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

1890-0393 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 1890-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1890-0393?
Check Price and Availability of 1890-0393, 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 1890-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1890-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1890-0393
  • 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 1890-0393 available by request