C697-0988 Screening compound: ETHYL 4-[3-(3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDO)PROPANAMIDO]BENZOATE

C697-0988 Screening compound: ETHYL 4-[3-(3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDO)PROPANAMIDO]BENZOATE
C697-0988 Screening compound: ETHYL 4-[3-(3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDO)PROPANAMIDO]BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound C697-0988
ETHYL 4-[3-(3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDO)PROPANAMIDO]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

C697-0988

Molecular Formula

C20H21N3O7S (C20 H21 N3 O7 S)

Compound Name

ETHYL 4-[3-(3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONAMIDO)PROPANAMIDO]BENZOATE

IUPAC name

n/a

SMILES

CCOC(c(cc1)ccc1NC(CCNS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O)=O)=O

InChI

InChI=1S/C20H21N3O7S/c1-3-29-19(25)13-4-6-14(7-5-13)22-18(24)10-11-21-31(27,28)15-8-9-16-17(12-15)30-20(26)23(16)2/h4-9,12,21H,3,10-11H2,1-2H3,(H,22,24)

InChI Key

GIPNPEBEUZLALO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.358

Distribution Coefficient, logD

2.357

Water Solubility, LogSw

-3.08

Polar Surface Area

108.607

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

C697-0988 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C697-0988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C697-0988?
Check Price and Availability of C697-0988, 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 C697-0988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C697-0988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C697-0988
  • 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 C697-0988 available by request