8018-9636 Screening compound: ethyl 2-({2-[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yl]acetyl}amino)benzoate

8018-9636 Screening compound: ethyl 2-({2-[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yl]acetyl}amino)benzoate
8018-9636 Screening compound: ethyl 2-({2-[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9636
ethyl 2-({2-[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yl]acetyl}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

8018-9636

Molecular Formula

C19H18N2O5S2 (C19 H18 N2 O5 S2)

Compound Name

ethyl 2-({2-[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yl]acetyl}amino)benzoate

IUPAC name

n/a

SMILES

CCOC(c(cccc1)c1NC(CC(C(N1Cc2ccco2)=O)SC1=S)=O)=O

InChI

InChI=1S/C19H18N2O5S2/c1-2-25-18(24)13-7-3-4-8-14(13)20-16(22)10-15-17(23)21(19(27)28-15)11-12-6-5-9-26-12/h3-9,15H,2,10-11H2,1H3,(H,20,22)/t15-/m1/s1

InChI Key

KVIHQJJKGDHXNJ-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.105

Distribution Coefficient, logD

3.051

Water Solubility, LogSw

-3.46

Polar Surface Area

67.396

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 8018-9636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9636?
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What is the minimum amount of 8018-9636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9636
  • 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 8018-9636 available by request