D231-0058 Screening compound: 2-[({[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetic acid

D231-0058 Screening compound: 2-[({[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetic acid
D231-0058 Screening compound: 2-[({[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D231-0058
2-[({[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetic acid

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

D231-0058

Molecular Formula

C16H15N3O3S2 (C16 H15 N3 O3 S2)

Compound Name

2-[({[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetic acid

IUPAC name

2-[({[4-(2-methyl-1H-indol-3-yl)-13-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetic acid

SMILES

Cc1c(-c2csc(NC(CSCC(O)=O)=O)n2)c(cccc2)c2[nH]1

InChI

InChI=1S/C16H15N3O3S2/c1-9-15(10-4-2-3-5-11(10)17-9)12-6-24-16(18-12)19-13(20)7-23-8-14(21)22/h2-6,17H,7-8H2,1H3,(H,21,22)(H,18,19,20)

InChI Key

XHJVBQVXHIAWRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04531527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

-0.451

Water Solubility, LogSw

-3.25

Polar Surface Area

71.472

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D231-0058 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with D231-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D231-0058?
Check Price and Availability of D231-0058, 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 D231-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D231-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D231-0058
  • 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 D231-0058 available by request