1890-0897 Screening compound: 3-bromo-N-(2-bromo-4,6-difluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

1890-0897 Screening compound: 3-bromo-N-(2-bromo-4,6-difluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
1890-0897 Screening compound: 3-bromo-N-(2-bromo-4,6-difluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1890-0897
3-bromo-N-(2-bromo-4,6-difluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[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

1890-0897

Molecular Formula

C18H7Br2F5N4OS (C18 H7 Br2 F5 N4 OS)

Compound Name

3-bromo-N-(2-bromo-4,6-difluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

3-bromo-N-(2-bromo-46-difluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br)Nc(c(F)cc(F)c1)c1Br

InChI

InChI=1S/C18H7Br2F5N4OS/c19-8-4-7(21)5-9(22)14(8)27-17(30)15-13(20)16-26-10(11-2-1-3-31-11)6-12(18(23,24)25)29(16)28-15/h1-6H,(H,27,30)

InChI Key

NDYNEVJFBYYGOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01000168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.15

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

5.566

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-5.84

Polar Surface Area

42.428

Acid Dissociation Constant (pKa)

6.60

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

1890-0897 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with 1890-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1890-0897?
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What is the minimum amount of 1890-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1890-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1890-0897
  • 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 1890-0897 available by request