V003-1071 Screening compound: ethyl 1-{3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoyl}piperidine-4-carboxylate

V003-1071 Screening compound: ethyl 1-{3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoyl}piperidine-4-carboxylate
V003-1071 Screening compound: ethyl 1-{3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1071
ethyl 1-{3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoyl}piperidine-4-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

V003-1071

Molecular Formula

C28H31ClN2O4 (C28 H31 ClN2 O4)

Compound Name

ethyl 1-{3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CCc1ccc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C28H31ClN2O4/c1-3-35-28(33)21-16-18-30(19-17-21)27(32)15-11-24-10-14-26(20-4-6-22(29)7-5-20)31(24)23-8-12-25(34-2)13-9-23/h4-10,12-14,21H,3,11,15-19H2,1-2H3

InChI Key

QQBCPGHKUXYRKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.577

Distribution Coefficient, logD

5.577

Water Solubility, LogSw

-6.00

Polar Surface Area

45.814

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V003-1071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1071?
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What is the minimum amount of V003-1071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1071
  • 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 V003-1071 available by request