6604-0074 Screening compound: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thiophene-2-carboxamide

6604-0074 Screening compound: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thiophene-2-carboxamide
6604-0074 Screening compound: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6604-0074
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thiophene-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

6604-0074

Molecular Formula

C22H15ClFN5OS (C22 H15 ClFN5 OS)

Compound Name

N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thiophene-2-carboxamide

IUPAC name

N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]thiophene-2-carboxamide

SMILES

O=C(c1cccs1)Nc1nn(C(C=C(c(cc2)ccc2Cl)N2)c(cc3)ccc3F)c2n1

InChI

InChI=1S/C22H15ClFN5OS/c23-15-7-3-13(4-8-15)17-12-18(14-5-9-16(24)10-6-14)29-22(25-17)27-21(28-29)26-20(30)19-2-1-11-31-19/h1-12,18H,(H2,25,26,27,28,30)/t18-/m1/s1

InChI Key

UTWJCMHAKUOVFL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04330106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.584

Distribution Coefficient, logD

5.577

Water Solubility, LogSw

-6.30

Polar Surface Area

62.903

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.50

6604-0074 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6604-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6604-0074?
Check Price and Availability of 6604-0074, 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 6604-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6604-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6604-0074
  • 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 6604-0074 available by request