8013-2107 Screening compound: ethyl 3-[(4-tert-butylphenyl)formamido]-3-(4-methoxyphenyl)propanoate

8013-2107 Screening compound: ethyl 3-[(4-tert-butylphenyl)formamido]-3-(4-methoxyphenyl)propanoate
8013-2107 Screening compound: ethyl 3-[(4-tert-butylphenyl)formamido]-3-(4-methoxyphenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2107
ethyl 3-[(4-tert-butylphenyl)formamido]-3-(4-methoxyphenyl)propanoate

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

8013-2107

Molecular Formula

C23H29NO4 (C23 H29 NO4)

Compound Name

ethyl 3-[(4-tert-butylphenyl)formamido]-3-(4-methoxyphenyl)propanoate

IUPAC name

ethyl 3-[(4-tert-butylphenyl)formamido]-3-(4-methoxyphenyl)propanoate

SMILES

CCOC(CC(c(cc1)ccc1OC)NC(c1ccc(C(C)(C)C)cc1)=O)=O

InChI

InChI=1S/C23H29NO4/c1-6-28-21(25)15-20(16-9-13-19(27-5)14-10-16)24-22(26)17-7-11-18(12-8-17)23(2,3)4/h7-14,20H,6,15H2,1-5H3,(H,24,26)/t20-/m0/s1

InChI Key

WBNRCPOGXHRNNQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03763708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.043

Distribution Coefficient, logD

5.043

Water Solubility, LogSw

-4.60

Polar Surface Area

51.985

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-5.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with 8013-2107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2107?
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What is the minimum amount of 8013-2107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2107
  • 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 8013-2107 available by request