V004-2179 Screening compound: 4-{6-[(2-fluorophenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide

V004-2179 Screening compound: 4-{6-[(2-fluorophenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide
V004-2179 Screening compound: 4-{6-[(2-fluorophenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2179
4-{6-[(2-fluorophenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide

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

V004-2179

Molecular Formula

C27H27FN4O2S (C27 H27 FN4 O2 S)

Compound Name

4-{6-[(2-fluorophenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide

IUPAC name

4-{6-[(2-fluorophenyl)methyl]-6H-thieno[23-b]pyrrole-5-carbonyl}-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide

SMILES

CC(CN(CC1)C(c(n2Cc(cccc3)c3F)cc3c2scc3)=O)N1C(Nc1ccc(C)cc1)=O

InChI

InChI=1S/C27H27FN4O2S/c1-18-7-9-22(10-8-18)29-27(34)31-13-12-30(16-19(31)2)25(33)24-15-20-11-14-35-26(20)32(24)17-21-5-3-4-6-23(21)28/h3-11,14-15,19H,12-13,16-17H2,1-2H3,(H,29,34)/t19-/m0/s1

InChI Key

IVXWPHGFLJTZGG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19842282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.646

Distribution Coefficient, logD

5.646

Water Solubility, LogSw

-5.70

Polar Surface Area

42.690

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V004-2179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2179?
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What is the minimum amount of V004-2179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2179
  • 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 V004-2179 available by request