Y500-6189 Screening compound: 11-chloro-N-[3-(1H-imidazol-1-yl)propyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide

Y500-6189 Screening compound: 11-chloro-N-[3-(1H-imidazol-1-yl)propyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
Y500-6189 Screening compound: 11-chloro-N-[3-(1H-imidazol-1-yl)propyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-6189
11-chloro-N-[3-(1H-imidazol-1-yl)propyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-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

Y500-6189

Molecular Formula

C22H18ClF3N6O (C22 H18 ClF3 N6 O)

Compound Name

11-chloro-N-[3-(1H-imidazol-1-yl)propyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide

IUPAC name

15-chloro-N-[3-(1H-imidazol-1-yl)propyl]-11-(trifluoromethyl)-121317-triazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)246101315-heptaene-14-carboxamide

SMILES

O=C(c1nn2c(C(F)(F)F)c(CCc3c-4cccc3)c4nc2c1Cl)NCCCn1cncc1

InChI

InChI=1S/C22H18ClF3N6O/c23-16-18(21(33)28-8-3-10-31-11-9-27-12-31)30-32-19(22(24,25)26)15-7-6-13-4-1-2-5-14(13)17(15)29-20(16)32/h1-2,4-5,9,11-12H,3,6-8,10H2,(H,28,33)

InChI Key

BKXJIHFSBJDCHT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-4.35

Polar Surface Area

58.530

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

Y500-6189 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y500-6189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-6189?
Check Price and Availability of Y500-6189, 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 Y500-6189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-6189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-6189
  • 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 Y500-6189 available by request