Y032-4157 Screening compound: (4-chloro-2-nitrophenyl)(2-methyl-2,3-dihydro-1H-indol-1-yl)methanone

Y032-4157 Screening compound: (4-chloro-2-nitrophenyl)(2-methyl-2,3-dihydro-1H-indol-1-yl)methanone
Y032-4157 Screening compound: (4-chloro-2-nitrophenyl)(2-methyl-2,3-dihydro-1H-indol-1-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4157
(4-chloro-2-nitrophenyl)(2-methyl-2,3-dihydro-1H-indol-1-yl)methanone

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

Y032-4157

Molecular Formula

C16H13ClN2O3 (C16 H13 ClN2 O3)

Compound Name

(4-chloro-2-nitrophenyl)(2-methyl-2,3-dihydro-1H-indol-1-yl)methanone

IUPAC name

1-(4-chloro-2-nitrobenzoyl)-2-methyl-23-dihydro-1H-indole

SMILES

CC(C1)N(C(c(ccc(Cl)c2)c2[N+]([O-])=O)=O)c2c1cccc2

InChI

InChI=1S/C16H13ClN2O3/c1-10-8-11-4-2-3-5-14(11)18(10)16(20)13-7-6-12(17)9-15(13)19(21)22/h2-7,9-10H,8H2,1H3/t10-/m0/s1

InChI Key

UQVIAYWZZOVVMK-JTQLQIEISA-N

MDL Number (MFCD)

MFCD07150659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.687

Distribution Coefficient, logD

3.687

Water Solubility, LogSw

-4.15

Polar Surface Area

47.937

Acid Dissociation Constant (pKa)

26.23

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.75

Y032-4157 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y032-4157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4157?
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What is the minimum amount of Y032-4157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4157
  • 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 Y032-4157 available by request