8019-9094 Screening compound: 2-(trifluoromethyl)-4H-[1,2,4]triazolo[5',1':2,3]pyrimido[5,4-d][1,2]diazepin-6-ol

8019-9094 Screening compound: 2-(trifluoromethyl)-4H-[1,2,4]triazolo[5',1':2,3]pyrimido[5,4-d][1,2]diazepin-6-ol
8019-9094 Screening compound: 2-(trifluoromethyl)-4H-[1,2,4]triazolo[5',1':2,3]pyrimido[5,4-d][1,2]diazepin-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9094
2-(trifluoromethyl)-4H-[1,2,4]triazolo[5',1':2,3]pyrimido[5,4-d][1,2]diazepin-6-ol

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

8019-9094

Molecular Formula

C9H5F3N6O (C9 H5 F3 N6 O)

Compound Name

2-(trifluoromethyl)-4H-[1,2,4]triazolo[5',1':2,3]pyrimido[5,4-d][1,2]diazepin-6-ol

IUPAC name

4-(trifluoromethyl)-23571112-hexaazatricyclo[7.5.0.0^{26}]tetradeca-1(14)3581012-hexaen-10-ol

SMILES

OC1=NN=CC=C2n3nc(C(F)(F)F)nc3NC=C12

InChI

InChI=1S/C9H5F3N6O/c10-9(11,12)7-15-8-13-3-4-5(18(8)17-7)1-2-14-16-6(4)19/h1-3H,(H,16,19)(H,13,15,17)

InChI Key

RTOHMEPEJJQFGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.496

Distribution Coefficient, logD

-3.234

Water Solubility, LogSw

-0.97

Polar Surface Area

73.911

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-14.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8019-9094 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-9094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9094?
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What is the minimum amount of 8019-9094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9094
  • 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 8019-9094 available by request