G748-0090 Screening compound: 2-anilino-5-{[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoyl]amino}-1,3-thiazole-4-carboxamide

G748-0090 Screening compound: 2-anilino-5-{[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoyl]amino}-1,3-thiazole-4-carboxamide
G748-0090 Screening compound: 2-anilino-5-{[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoyl]amino}-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G748-0090
2-anilino-5-{[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoyl]amino}-1,3-thiazole-4-carboxamide

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

G748-0090

Molecular Formula

C21H21N5O4S2 (C21 H21 N5 O4 S2)

Compound Name

2-anilino-5-{[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoyl]amino}-1,3-thiazole-4-carboxamide

IUPAC name

5-[3-(11-dioxo-1lambda62-thiazinan-2-yl)benzamido]-2-(phenylamino)-13-thiazole-4-carboxamide

SMILES

NC(c1c(NC(c2cccc(N(CCCC3)S3(=O)=O)c2)=O)sc(Nc2ccccc2)n1)=O

InChI

InChI=1S/C21H21N5O4S2/c22-18(27)17-20(31-21(24-17)23-15-8-2-1-3-9-15)25-19(28)14-7-6-10-16(13-14)26-11-4-5-12-32(26,29)30/h1-3,6-10,13H,4-5,11-12H2,(H2,22,27)(H,23,24)(H,25,28)

InChI Key

ZFMWXRBDMZHYRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.225

Distribution Coefficient, logD

2.207

Water Solubility, LogSw

-3.07

Polar Surface Area

107.563

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G748-0090 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G748-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G748-0090?
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What is the minimum amount of G748-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G748-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G748-0090
  • 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 G748-0090 available by request