V012-2882 Screening compound: ethyl 1-benzyl-3-(3,5-dimethoxybenzamido)-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate

V012-2882 Screening compound: ethyl 1-benzyl-3-(3,5-dimethoxybenzamido)-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate
V012-2882 Screening compound: ethyl 1-benzyl-3-(3,5-dimethoxybenzamido)-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-2882
ethyl 1-benzyl-3-(3,5-dimethoxybenzamido)-4-(3,4-dimethoxyphenyl)-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

V012-2882

Molecular Formula

C31H32N2O7 (C31 H32 N2 O7)

Compound Name

ethyl 1-benzyl-3-(3,5-dimethoxybenzamido)-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 1-benzyl-3-(35-dimethoxybenzamido)-4-(34-dimethoxyphenyl)-1H-pyrrole-2-carboxylate

SMILES

CCOC(c(n(Cc1ccccc1)cc1-c(cc2)cc(OC)c2OC)c1NC(c1cc(OC)cc(OC)c1)=O)=O

InChI

InChI=1S/C31H32N2O7/c1-6-40-31(35)29-28(32-30(34)22-14-23(36-2)17-24(15-22)37-3)25(19-33(29)18-20-10-8-7-9-11-20)21-12-13-26(38-4)27(16-21)39-5/h7-17,19H,6,18H2,1-5H3,(H,32,34)

InChI Key

KUXAIQJQWAVMNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.775

Distribution Coefficient, logD

4.752

Water Solubility, LogSw

-4.33

Polar Surface Area

74.023

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

V012-2882 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 V012-2882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-2882?
Check Price and Availability of V012-2882, 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 V012-2882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-2882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-2882
  • 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 V012-2882 available by request