V004-2656 Screening compound: methyl 4-{2-[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

V004-2656 Screening compound: methyl 4-{2-[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
V004-2656 Screening compound: methyl 4-{2-[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2656
methyl 4-{2-[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

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

V004-2656

Molecular Formula

C23H27FN2O5 (C23 H27 FN2 O5)

Compound Name

methyl 4-{2-[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-{2-[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetyl}-135-trimethyl-1H-pyrrole-2-carboxylate

SMILES

Cc1c(C(OC)=O)n(C)c(C)c1C(CN(CC1OCCC1)C(c1cccc(F)c1)=O)=O

InChI

InChI=1S/C23H27FN2O5/c1-14-20(15(2)25(3)21(14)23(29)30-4)19(27)13-26(12-18-9-6-10-31-18)22(28)16-7-5-8-17(24)11-16/h5,7-8,11,18H,6,9-10,12-13H2,1-4H3

InChI Key

LLSPTHMLRDIRMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14257522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.927

Distribution Coefficient, logD

1.927

Water Solubility, LogSw

-2.41

Polar Surface Area

61.061

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

V004-2656 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-2656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2656?
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What is the minimum amount of V004-2656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2656
  • 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 V004-2656 available by request