Y044-5387 Screening compound: (1R,2R,9S,10S)-N~3~-[1-(4-methoxyphenyl)-2-methylpropyl]-3,15-diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-ene-3-carboxamide

Y044-5387 Screening compound: (1R,2R,9S,10S)-N~3~-[1-(4-methoxyphenyl)-2-methylpropyl]-3,15-diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-ene-3-carboxamide
Y044-5387 Screening compound: (1R,2R,9S,10S)-N~3~-[1-(4-methoxyphenyl)-2-methylpropyl]-3,15-diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-ene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5387
(1R,2R,9S,10S)-N~3~-[1-(4-methoxyphenyl)-2-methylpropyl]-3,15-diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-ene-3-carboxamide

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

Y044-5387

Molecular Formula

C27H39N3O2 (C27 H39 N3 O2)

Compound Name

(1R,2R,9S,10S)-N~3~-[1-(4-methoxyphenyl)-2-methylpropyl]-3,15-diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-ene-3-carboxamide

IUPAC name

(1R2R9S10S)-N-[1-(4-methoxyphenyl)-2-methylpropyl]-315-diazatetracyclo[7.7.1.0^{27}.0^{1015}]heptadec-7-ene-3-carboxamide

SMILES

CC(C)C(c(cc1)ccc1OC)NC(N(CCC1)[C@@H]2C1=C[C@@H]1[C@@H](CCCC3)N3C[C@@H]2C1)=O

InChI

InChI=1S/C27H39N3O2/c1-18(2)25(19-9-11-23(32-3)12-10-19)28-27(31)30-14-6-7-20-15-21-16-22(26(20)30)17-29-13-5-4-8-24(21)29/h9-12,15,18,21-22,24-26H,4-8,13-14,16-17H2,1-3H3,(H,28,31)/t21-,22+,24+,25?,26-/m1/s1

InChI Key

XMWGZGZHKRWCFG-DJPMNMJASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.295

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-4.09

Polar Surface Area

35.972

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

66.67

Y044-5387 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y044-5387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5387?
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What is the minimum amount of Y044-5387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5387
  • 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 Y044-5387 available by request