D715-2653 Screening compound: (2S)-2-({[2-(1H-PYRROL-1-YL)-1,3-BENZOTHIAZOL-6-YL]CARBONYL}AMINO)PROPANOIC ACID

D715-2653 Screening compound: (2S)-2-({[2-(1H-PYRROL-1-YL)-1,3-BENZOTHIAZOL-6-YL]CARBONYL}AMINO)PROPANOIC ACID
D715-2653 Screening compound: (2S)-2-({[2-(1H-PYRROL-1-YL)-1,3-BENZOTHIAZOL-6-YL]CARBONYL}AMINO)PROPANOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-2653
(2S)-2-({[2-(1H-PYRROL-1-YL)-1,3-BENZOTHIAZOL-6-YL]CARBONYL}AMINO)PROPANOIC 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

D715-2653

Molecular Formula

C15H13N3O3S (C15 H13 N3 O3 S)

Compound Name

(2S)-2-({[2-(1H-PYRROL-1-YL)-1,3-BENZOTHIAZOL-6-YL]CARBONYL}AMINO)PROPANOIC ACID

IUPAC name

(2S)-2-{[2-(1H-pyrrol-1-yl)-13-benzothiazol-6-yl]formamido}propanoic acid

SMILES

CC(C(O)=O)NC(c(cc1)cc2c1nc(-n1cccc1)s2)=O

InChI

InChI=1S/C15H13N3O3S/c1-9(14(20)21)16-13(19)10-4-5-11-12(8-10)22-15(17-11)18-6-2-3-7-18/h2-9H,1H3,(H,16,19)(H,20,21)/t9-/m0/s1

InChI Key

NFGKCJLLNFNGHY-VIFPVBQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.912

Distribution Coefficient, logD

-1.788

Water Solubility, LogSw

-2.47

Polar Surface Area

66.016

Acid Dissociation Constant (pKa)

3.70

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.33

D715-2653 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Arginase Targeted Library (2009 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cardiovascular
Targets:
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D715-2653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-2653?
Check Price and Availability of D715-2653, 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 D715-2653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-2653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-2653
  • 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 D715-2653 available by request