V004-2100 Screening compound: 2-(3,4-dichlorobenzoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline

V004-2100 Screening compound: 2-(3,4-dichlorobenzoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline
V004-2100 Screening compound: 2-(3,4-dichlorobenzoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2100
2-(3,4-dichlorobenzoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline

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

V004-2100

Molecular Formula

C22H16Cl2FNO (C22 H16 Cl2 FNO)

Compound Name

2-(3,4-dichlorobenzoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(34-dichlorobenzoyl)-1-(4-fluorophenyl)-1234-tetrahydroisoquinoline

SMILES

O=C(c(cc1)cc(Cl)c1Cl)N(CC1)C(c(cc2)ccc2F)c2c1cccc2

InChI

InChI=1S/C22H16Cl2FNO/c23-19-10-7-16(13-20(19)24)22(27)26-12-11-14-3-1-2-4-18(14)21(26)15-5-8-17(25)9-6-15/h1-10,13,21H,11-12H2/t21-/m0/s1

InChI Key

DSFPQYPKQUAFHA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19957670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.299

Distribution Coefficient, logD

6.299

Water Solubility, LogSw

-6.43

Polar Surface Area

15.861

Acid Dissociation Constant (pKa)

20.53

Base Dissociation Constant (pKb)

-7.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

V004-2100 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 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 V004-2100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2100?
Check Price and Availability of V004-2100, 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 V004-2100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2100
  • 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 V004-2100 available by request