Y040-6160 Screening compound: N~2~-{2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Y040-6160 Screening compound: N~2~-{2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Y040-6160 Screening compound: N~2~-{2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6160
N~2~-{2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-2,3-dihydro-1,4-benzodioxine-2-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

Y040-6160

Molecular Formula

C15H15N3O4S (C15 H15 N3 O4 S)

Compound Name

N~2~-{2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

n/a

SMILES

Cc1cnc(NC(CNC(C2Oc(cccc3)c3OC2)=O)=O)s1

InChI

InChI=1S/C15H15N3O4S/c1-9-6-17-15(23-9)18-13(19)7-16-14(20)12-8-21-10-4-2-3-5-11(10)22-12/h2-6,12H,7-8H2,1H3,(H,16,20)(H,17,18,19)/t12-/m0/s1

InChI Key

XLRRGXNZSBTLSE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD12205105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.433

Distribution Coefficient, logD

2.427

Water Solubility, LogSw

-2.72

Polar Surface Area

73.806

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.00

References: we are preparing a list of scientific research reports with Y040-6160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6160?
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What is the minimum amount of Y040-6160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6160
  • 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 Y040-6160 available by request