K061-0807 Screening compound: 5-(4-bromophenyl)-N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

K061-0807 Screening compound: 5-(4-bromophenyl)-N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
K061-0807 Screening compound: 5-(4-bromophenyl)-N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0807
5-(4-bromophenyl)-N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-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

K061-0807

Molecular Formula

C29H19BrF3N5O4 (C29 H19 BrF3 N5 O4)

Compound Name

5-(4-bromophenyl)-N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

5-(4-bromophenyl)-N-[3-(23-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

[O-][N+](c1cc(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)ccc4Br)nc3c2)=O)cc(Oc2cc(CCC3)c3cc2)c1)=O

InChI

InChI=1S/C29H19BrF3N5O4/c30-19-7-4-17(5-8-19)24-14-26(29(31,32)33)37-27(35-24)15-25(36-37)28(39)34-20-11-21(38(40)41)13-23(12-20)42-22-9-6-16-2-1-3-18(16)10-22/h4-15H,1-3H2,(H,34,39)

InChI Key

KXNWNCZSVHLKJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01447077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

638.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

8.484

Distribution Coefficient, logD

8.481

Water Solubility, LogSw

-6.24

Polar Surface Area

81.905

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with K061-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0807?
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What is the minimum amount of K061-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0807
  • 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 K061-0807 available by request