Y043-4700 Screening compound: 1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone

Y043-4700 Screening compound: 1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone
Y043-4700 Screening compound: 1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-4700
1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone

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

Y043-4700

Molecular Formula

C15H17F3N6O (C15 H17 F3 N6 O)

Compound Name

1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone

IUPAC name

7-{1H4H5H6H7H8H-cyclohepta[c]pyrazole-3-carbonyl}-3-(trifluoromethyl)-5H6H7H8H-[124]triazolo[43-a]pyrazine

SMILES

O=C(c1n[nH]c2c1CCCCC2)N1Cc2nnc(C(F)(F)F)n2CC1

InChI

InChI=1S/C15H17F3N6O/c16-15(17,18)14-22-20-11-8-23(6-7-24(11)14)13(25)12-9-4-2-1-3-5-10(9)19-21-12/h1-8H2,(H,19,21)

InChI Key

YSTXPBXQSASGSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28058316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.417

Distribution Coefficient, logD

1.417

Water Solubility, LogSw

-1.55

Polar Surface Area

66.877

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

Y043-4700 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with Y043-4700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4700?
Check Price and Availability of Y043-4700, 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 Y043-4700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4700
  • 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 Y043-4700 available by request