Y041-7618 Screening compound: N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-chloro-4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzamide

Y041-7618 Screening compound: N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-chloro-4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzamide
Y041-7618 Screening compound: N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-chloro-4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7618
N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-chloro-4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzamide

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

Y041-7618

Molecular Formula

C19H19ClN4O3S (C19 H19 ClN4 O3 S)

Compound Name

N~1~-(1H-1,3-benzimidazol-2-ylmethyl)-2-chloro-4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzamide

IUPAC name

N-[(1H-13-benzodiazol-2-yl)methyl]-2-chloro-4-(11-dioxo-1lambda62-thiazinan-2-yl)benzamide

SMILES

O=C(c(ccc(N(CCCC1)S1(=O)=O)c1)c1Cl)NCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C19H19ClN4O3S/c20-15-11-13(24-9-3-4-10-28(24,26)27)7-8-14(15)19(25)21-12-18-22-16-5-1-2-6-17(16)23-18/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,25)(H,22,23)

InChI Key

HTBUHHVEBSEXSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28055343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.821

Distribution Coefficient, logD

2.820

Water Solubility, LogSw

-3.88

Polar Surface Area

76.603

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

Y041-7618 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 Y041-7618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7618?
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What is the minimum amount of Y041-7618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7618
  • 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 Y041-7618 available by request