Y501-1461 Screening compound: N-[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]-N'-(2-chloro-6-hydroxy-3-nitrophenyl)thiourea

Y501-1461 Screening compound: N-[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]-N'-(2-chloro-6-hydroxy-3-nitrophenyl)thiourea
Y501-1461 Screening compound: N-[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]-N'-(2-chloro-6-hydroxy-3-nitrophenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-1461
N-[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]-N'-(2-chloro-6-hydroxy-3-nitrophenyl)thiourea

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

Y501-1461

Molecular Formula

C25H21ClN4O4S (C25 H21 ClN4 O4 S)

Compound Name

N-[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]-N'-(2-chloro-6-hydroxy-3-nitrophenyl)thiourea

IUPAC name

3-(1-benzyl-23-dimethyl-1H-indole-5-carbonyl)-1-(2-chloro-6-hydroxy-3-nitrophenyl)thiourea

SMILES

Cc1c(C)n(Cc2ccccc2)c(cc2)c1cc2C(NC(Nc(c(O)ccc1[N+]([O-])=O)c1Cl)=S)=O

InChI

InChI=1S/C25H21ClN4O4S/c1-14-15(2)29(13-16-6-4-3-5-7-16)19-9-8-17(12-18(14)19)24(32)28-25(35)27-23-21(31)11-10-20(22(23)26)30(33)34/h3-12,31H,13H2,1-2H3,(H2,27,28,32,35)

InChI Key

OFRKTSGBSKTZBJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.712

Distribution Coefficient, logD

5.228

Water Solubility, LogSw

-5.54

Polar Surface Area

82.673

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with Y501-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-1461?
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What is the minimum amount of Y501-1461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-1461
  • 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 Y501-1461 available by request