4019-0043 Screening compound: 4-chloro-2-[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]phenol

4019-0043 Screening compound: 4-chloro-2-[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
4019-0043 Screening compound: 4-chloro-2-[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4019-0043
4-chloro-2-[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-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

4019-0043

Molecular Formula

C21H14ClFN2O (C21 H14 ClFN2 O)

Compound Name

4-chloro-2-[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]phenol

IUPAC name

4-chloro-2-[4-(4-fluorophenyl)-3H-15-benzodiazepin-2-yl]phenol

SMILES

Oc(ccc(Cl)c1)c1C(C1)=Nc(cccc2)c2N=C1c(cc1)ccc1F

InChI

InChI=1S/C21H14ClFN2O/c22-14-7-10-21(26)16(11-14)20-12-19(13-5-8-15(23)9-6-13)24-17-3-1-2-4-18(17)25-20/h1-11,26H,12H2

InChI Key

QRGSVUQCMHTOCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.592

Distribution Coefficient, logD

5.476

Water Solubility, LogSw

-5.93

Polar Surface Area

34.318

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

4019-0043 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4019-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4019-0043?
Check Price and Availability of 4019-0043, 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 4019-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4019-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4019-0043
  • 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 4019-0043 available by request