Y205-0299 Screening compound: 4-[4-(tert-butyl)phenyl]-5-methyl-2-[(3-nitrobenzoyl)amino]-3-thiophenecarboxamide

Y205-0299 Screening compound: 4-[4-(tert-butyl)phenyl]-5-methyl-2-[(3-nitrobenzoyl)amino]-3-thiophenecarboxamide
Y205-0299 Screening compound: 4-[4-(tert-butyl)phenyl]-5-methyl-2-[(3-nitrobenzoyl)amino]-3-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-0299
4-[4-(tert-butyl)phenyl]-5-methyl-2-[(3-nitrobenzoyl)amino]-3-thiophenecarboxamide

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

Y205-0299

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

4-[4-(tert-butyl)phenyl]-5-methyl-2-[(3-nitrobenzoyl)amino]-3-thiophenecarboxamide

IUPAC name

4-(4-tert-butylphenyl)-5-methyl-2-(3-nitrobenzamido)thiophene-3-carboxamide

SMILES

CC(C)(C)c(cc1)ccc1-c1c(C)sc(NC(c2cc([N+]([O-])=O)ccc2)=O)c1C(N)=O

InChI

InChI=1S/C23H23N3O4S/c1-13-18(14-8-10-16(11-9-14)23(2,3)4)19(20(24)27)22(31-13)25-21(28)15-6-5-7-17(12-15)26(29)30/h5-12H,1-4H3,(H2,24,27)(H,25,28)

InChI Key

MALGOFMREIRGDE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.650

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.72

Polar Surface Area

90.293

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

Y205-0299 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y205-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-0299?
Check Price and Availability of Y205-0299, 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 Y205-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-0299
  • 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 Y205-0299 available by request