V016-7182 Screening compound: ethyl 3-[2-(acetyloxy)-2-phenylacetamido]-1-benzyl-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate

V016-7182 Screening compound: ethyl 3-[2-(acetyloxy)-2-phenylacetamido]-1-benzyl-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
V016-7182 Screening compound: ethyl 3-[2-(acetyloxy)-2-phenylacetamido]-1-benzyl-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-7182
ethyl 3-[2-(acetyloxy)-2-phenylacetamido]-1-benzyl-4-(4-methoxyphenyl)-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

V016-7182

Molecular Formula

C31H30N2O6 (C31 H30 N2 O6)

Compound Name

ethyl 3-[2-(acetyloxy)-2-phenylacetamido]-1-benzyl-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 3-[2-(acetyloxy)-2-phenylacetamido]-1-benzyl-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate

SMILES

CCOC(c(n(Cc1ccccc1)cc1-c(cc2)ccc2OC)c1NC(C(c1ccccc1)OC(C)=O)=O)=O

InChI

InChI=1S/C31H30N2O6/c1-4-38-31(36)28-27(32-30(35)29(39-21(2)34)24-13-9-6-10-14-24)26(23-15-17-25(37-3)18-16-23)20-33(28)19-22-11-7-5-8-12-22/h5-18,20,29H,4,19H2,1-3H3,(H,32,35)/t29-/m1/s1

InChI Key

XZKPCDSXDJZESW-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19964723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.092

Distribution Coefficient, logD

4.951

Water Solubility, LogSw

-4.71

Polar Surface Area

71.726

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-4.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with V016-7182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7182?
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What is the minimum amount of V016-7182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7182
  • 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 V016-7182 available by request