V012-0068 Screening compound: 4-chloro-2-{[1-(4-ethylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}phenol

V012-0068 Screening compound: 4-chloro-2-{[1-(4-ethylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}phenol
V012-0068 Screening compound: 4-chloro-2-{[1-(4-ethylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0068
4-chloro-2-{[1-(4-ethylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}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

V012-0068

Molecular Formula

C23H25ClN2O (C23 H25 ClN2 O)

Compound Name

4-chloro-2-{[1-(4-ethylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}phenol

IUPAC name

4-chloro-2-{[1-(4-ethylphenyl)-1H2H3H4H5H-pyrrolo[12-a][14]diazepin-2-yl]methyl}phenol

SMILES

CCc1ccc(C2N(Cc(cc(cc3)Cl)c3O)CCCn3c2ccc3)cc1

InChI

InChI=1S/C23H25ClN2O/c1-2-17-6-8-18(9-7-17)23-21-5-3-12-25(21)13-4-14-26(23)16-19-15-20(24)10-11-22(19)27/h3,5-12,15,23,27H,2,4,13-14,16H2,1H3/t23-/m1/s1

InChI Key

MKYONUCYGXKGDV-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19888364

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

380.92

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.683

Distribution Coefficient, logD

5.662

Water Solubility, LogSw

-5.97

Polar Surface Area

22.490

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

V012-0068 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V012-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0068?
Check Price and Availability of V012-0068, 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 V012-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0068
  • 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 V012-0068 available by request