Y043-2490 Screening compound: methyl 2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)benzoate

Y043-2490 Screening compound: methyl 2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)benzoate
Y043-2490 Screening compound: methyl 2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-2490
methyl 2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)benzoate

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

Y043-2490

Molecular Formula

C13H16N2O5S (C13 H16 N2 O5 S)

Compound Name

methyl 2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)benzoate

IUPAC name

methyl 2-{[(11-dioxo-1lambda6-thiolan-3-yl)carbamoyl]amino}benzoate

SMILES

COC(c(cccc1)c1NC(NC(CC1)CS1(=O)=O)=O)=O

InChI

InChI=1S/C13H16N2O5S/c1-20-12(16)10-4-2-3-5-11(10)15-13(17)14-9-6-7-21(18,19)8-9/h2-5,9H,6-8H2,1H3,(H2,14,15,17)/t9-/m1/s1

InChI Key

PMEUYBBLUKWLBA-SECBINFHSA-N

MDL Number (MFCD)

MFCD20535484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.367

Distribution Coefficient, logD

0.366

Water Solubility, LogSw

-2.17

Polar Surface Area

82.502

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

Y043-2490 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 Y043-2490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-2490?
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What is the minimum amount of Y043-2490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-2490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-2490
  • 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 Y043-2490 available by request