V014-8705 Screening compound: 2-{3-bromo-4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline

V014-8705 Screening compound: 2-{3-bromo-4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline
V014-8705 Screening compound: 2-{3-bromo-4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8705
2-{3-bromo-4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-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

V014-8705

Molecular Formula

C23H18BrFN2OS (C23 H18 BrFN2 OS)

Compound Name

2-{3-bromo-4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{3-bromo-4-[(4-fluorophenyl)methyl]-4H-thieno[32-b]pyrrole-5-carbonyl}-1234-tetrahydroisoquinoline

SMILES

O=C(c1cc(scc2Br)c2n1Cc(cc1)ccc1F)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C23H18BrFN2OS/c24-19-14-29-21-11-20(27(22(19)21)12-15-5-7-18(25)8-6-15)23(28)26-10-9-16-3-1-2-4-17(16)13-26/h1-8,11,14H,9-10,12-13H2

InChI Key

BMBIDWQSYMPXTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19896700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.692

Distribution Coefficient, logD

5.692

Water Solubility, LogSw

-5.86

Polar Surface Area

17.797

Acid Dissociation Constant (pKa)

25.97

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with V014-8705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8705?
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What is the minimum amount of V014-8705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8705
  • 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 V014-8705 available by request