Y032-1815 Screening compound: methyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylpentanoate

Y032-1815 Screening compound: methyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylpentanoate
Y032-1815 Screening compound: methyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-1815
methyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylpentanoate

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

Y032-1815

Molecular Formula

C14H17ClN2O5 (C14 H17 ClN2 O5)

Compound Name

methyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylpentanoate

IUPAC name

methyl 2-[(4-chloro-3-nitrophenyl)formamido]-4-methylpentanoate

SMILES

CC(C)CC(C(OC)=O)NC(c(cc1)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C14H17ClN2O5/c1-8(2)6-11(14(19)22-3)16-13(18)9-4-5-10(15)12(7-9)17(20)21/h4-5,7-8,11H,6H2,1-3H3,(H,16,18)/t11-/m0/s1

InChI Key

JDRJTXRQGTYURW-NSHDSACASA-N

MDL Number (MFCD)

MFCD03348096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.75

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.594

Distribution Coefficient, logD

2.590

Water Solubility, LogSw

-3.56

Polar Surface Area

78.808

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-5.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

Y032-1815 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y032-1815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-1815?
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What is the minimum amount of Y032-1815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-1815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-1815
  • 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 Y032-1815 available by request