3021-0066 Screening compound: [(4-sulfamoylphenyl)carbamoyl]methyl 2-(phenylformamido)propanoate

3021-0066 Screening compound: [(4-sulfamoylphenyl)carbamoyl]methyl 2-(phenylformamido)propanoate
3021-0066 Screening compound: [(4-sulfamoylphenyl)carbamoyl]methyl 2-(phenylformamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3021-0066
[(4-sulfamoylphenyl)carbamoyl]methyl 2-(phenylformamido)propanoate

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

3021-0066

Molecular Formula

C18H19N3O6S (C18 H19 N3 O6 S)

Compound Name

[(4-sulfamoylphenyl)carbamoyl]methyl 2-(phenylformamido)propanoate

IUPAC name

[(4-sulfamoylphenyl)carbamoyl]methyl 2-(phenylformamido)propanoate

SMILES

CC(C(OCC(Nc(cc1)ccc1S(N)(=O)=O)=O)=O)NC(c1ccccc1)=O

InChI

InChI=1S/C18H19N3O6S/c1-12(20-17(23)13-5-3-2-4-6-13)18(24)27-11-16(22)21-14-7-9-15(10-8-14)28(19,25)26/h2-10,12H,11H2,1H3,(H,20,23)(H,21,22)(H2,19,25,26)/t12-/m0/s1

InChI Key

UNAFNOPSAMUBQS-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01798550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.706

Distribution Coefficient, logD

0.705

Water Solubility, LogSw

-2.04

Polar Surface Area

118.697

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

3021-0066 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 3021-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3021-0066?
Check Price and Availability of 3021-0066, 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 3021-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3021-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3021-0066
  • 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 3021-0066 available by request