F499-1238 Screening compound: ETHYL 4-(5-{[({[(4-METHOXYPHENYL)METHYL]CARBAMOYL}METHYL)SULFANYL]METHYL}-1,3,4-THIADIAZOLE-2-AMIDO)BENZOATE

F499-1238 Screening compound: ETHYL 4-(5-{[({[(4-METHOXYPHENYL)METHYL]CARBAMOYL}METHYL)SULFANYL]METHYL}-1,3,4-THIADIAZOLE-2-AMIDO)BENZOATE
F499-1238 Screening compound: ETHYL 4-(5-{[({[(4-METHOXYPHENYL)METHYL]CARBAMOYL}METHYL)SULFANYL]METHYL}-1,3,4-THIADIAZOLE-2-AMIDO)BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound F499-1238
ETHYL 4-(5-{[({[(4-METHOXYPHENYL)METHYL]CARBAMOYL}METHYL)SULFANYL]METHYL}-1,3,4-THIADIAZOLE-2-AMIDO)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

F499-1238

Molecular Formula

C23H24N4O5S2 (C23 H24 N4 O5 S2)

Compound Name

ETHYL 4-(5-{[({[(4-METHOXYPHENYL)METHYL]CARBAMOYL}METHYL)SULFANYL]METHYL}-1,3,4-THIADIAZOLE-2-AMIDO)BENZOATE

IUPAC name

n/a

SMILES

CCOC(c(cc1)ccc1NC(c1nnc(CSCC(NCc(cc2)ccc2OC)=O)s1)=O)=O

InChI

InChI=1S/C23H24N4O5S2/c1-3-32-23(30)16-6-8-17(9-7-16)25-21(29)22-27-26-20(34-22)14-33-13-19(28)24-12-15-4-10-18(31-2)11-5-15/h4-11H,3,12-14H2,1-2H3,(H,24,28)(H,25,29)

InChI Key

IEPRTXKCBBLQJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14956442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-4.00

Polar Surface Area

99.826

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

F499-1238 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 F499-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F499-1238?
Check Price and Availability of F499-1238, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F499-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F499-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F499-1238
  • 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 F499-1238 available by request