8009-0882 Screening compound: 4-chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol

8009-0882 Screening compound: 4-chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
8009-0882 Screening compound: 4-chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0882
4-chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol

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

8009-0882

Molecular Formula

C13H11ClF4N2O (C13 H11 ClF4 N2 O)

Compound Name

4-chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol

IUPAC name

4-chloro-2-[7-(1122-tetrafluoroethyl)-23-dihydro-1H-14-diazepin-5-yl]phenol

SMILES

Oc(ccc(Cl)c1)c1C1=NCCNC(C(C(F)F)(F)F)=C1

InChI

InChI=1S/C13H11ClF4N2O/c14-7-1-2-10(21)8(5-7)9-6-11(20-4-3-19-9)13(17,18)12(15)16/h1-2,5-6,12,20-21H,3-4H2

InChI Key

CBYGBGCKLKLNBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01419180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.69

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.284

Distribution Coefficient, logD

4.281

Water Solubility, LogSw

-4.26

Polar Surface Area

37.817

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with 8009-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0882?
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What is the minimum amount of 8009-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0882
  • 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 8009-0882 available by request