8014-3335 Screening compound: 4-nitrobenzyl 2-{[4-(tert-butyl)benzoyl]amino}-3-phenylpropanoate

8014-3335 Screening compound: 4-nitrobenzyl 2-{[4-(tert-butyl)benzoyl]amino}-3-phenylpropanoate
8014-3335 Screening compound: 4-nitrobenzyl 2-{[4-(tert-butyl)benzoyl]amino}-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3335
4-nitrobenzyl 2-{[4-(tert-butyl)benzoyl]amino}-3-phenylpropanoate

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

8014-3335

Molecular Formula

C27H28N2O5 (C27 H28 N2 O5)

Compound Name

4-nitrobenzyl 2-{[4-(tert-butyl)benzoyl]amino}-3-phenylpropanoate

IUPAC name

(4-nitrophenyl)methyl 2-[(4-tert-butylphenyl)formamido]-3-phenylpropanoate

SMILES

CC(C)(C)c(cc1)ccc1C(NC(Cc1ccccc1)C(OCc(cc1)ccc1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C27H28N2O5/c1-27(2,3)22-13-11-21(12-14-22)25(30)28-24(17-19-7-5-4-6-8-19)26(31)34-18-20-9-15-23(16-10-20)29(32)33/h4-16,24H,17-18H2,1-3H3,(H,28,30)/t24-/m0/s1

InChI Key

BECAVDLQJVZONH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03725653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.927

Distribution Coefficient, logD

5.927

Water Solubility, LogSw

-5.62

Polar Surface Area

78.521

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.93

8014-3335 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8014-3335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3335?
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What is the minimum amount of 8014-3335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3335
  • 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 8014-3335 available by request