V006-9976 Screening compound: methyl 4-{2-[1-(3-fluorophenyl)-N-(2-methylpropyl)formamido]acetyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

V006-9976 Screening compound: methyl 4-{2-[1-(3-fluorophenyl)-N-(2-methylpropyl)formamido]acetyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
V006-9976 Screening compound: methyl 4-{2-[1-(3-fluorophenyl)-N-(2-methylpropyl)formamido]acetyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9976
methyl 4-{2-[1-(3-fluorophenyl)-N-(2-methylpropyl)formamido]acetyl}-3,5-dimethyl-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

V006-9976

Molecular Formula

C21H25FN2O4 (C21 H25 FN2 O4)

Compound Name

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

IUPAC name

methyl 4-{2-[1-(3-fluorophenyl)-N-(2-methylpropyl)formamido]acetyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CC(C)CN(CC(c1c(C)[nH]c(C(OC)=O)c1C)=O)C(c1cccc(F)c1)=O

InChI

InChI=1S/C21H25FN2O4/c1-12(2)10-24(20(26)15-7-6-8-16(22)9-15)11-17(25)18-13(3)19(21(27)28-5)23-14(18)4/h6-9,12,23H,10-11H2,1-5H3

InChI Key

FDQOHRFDOCMUCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13968041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.243

Distribution Coefficient, logD

3.243

Water Solubility, LogSw

-3.64

Polar Surface Area

61.852

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with V006-9976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9976?
Check Price and Availability of V006-9976, 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 V006-9976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9976
  • 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 V006-9976 available by request