V027-7176 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

V027-7176 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
V027-7176 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-7176
ethyl 4-{2-[1-(4-chlorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetyl}-1-ethyl-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

V027-7176

Molecular Formula

C25H31ClN2O5 (C25 H31 ClN2 O5)

Compound Name

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

IUPAC name

ethyl 4-{2-[1-(4-chlorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetyl}-1-ethyl-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCn1c(C(OCC)=O)c(C)c(C(CN(CC2OCCC2)C(c(cc2)ccc2Cl)=O)=O)c1C

InChI

InChI=1S/C25H31ClN2O5/c1-5-28-17(4)22(16(3)23(28)25(31)32-6-2)21(29)15-27(14-20-8-7-13-33-20)24(30)18-9-11-19(26)12-10-18/h9-12,20H,5-8,13-15H2,1-4H3/t20-/m1/s1

InChI Key

ARDCVNRXUYWMRY-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19812619

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.451

Distribution Coefficient, logD

3.451

Water Solubility, LogSw

-4.38

Polar Surface Area

59.556

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

V027-7176 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V027-7176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-7176?
Check Price and Availability of V027-7176, 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 V027-7176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-7176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-7176
  • 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 V027-7176 available by request