Y044-0955 Screening compound: 2-{[3-(5-bromo-1H-indol-1-yl)propanoyl]amino}acetic acid

Y044-0955 Screening compound: 2-{[3-(5-bromo-1H-indol-1-yl)propanoyl]amino}acetic acid
Y044-0955 Screening compound: 2-{[3-(5-bromo-1H-indol-1-yl)propanoyl]amino}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-0955
2-{[3-(5-bromo-1H-indol-1-yl)propanoyl]amino}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

Y044-0955

Molecular Formula

C13H13BrN2O3 (C13 H13 BrN2 O3)

Compound Name

2-{[3-(5-bromo-1H-indol-1-yl)propanoyl]amino}acetic acid

IUPAC name

2-[3-(5-bromo-1H-indol-1-yl)propanamido]acetic acid

SMILES

OC(CNC(CCn(cc1)c(cc2)c1cc2Br)=O)=O

InChI

InChI=1S/C13H13BrN2O3/c14-10-1-2-11-9(7-10)3-5-16(11)6-4-12(17)15-8-13(18)19/h1-3,5,7H,4,6,8H2,(H,15,17)(H,18,19)

InChI Key

MJIKTVRBZXZCHJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.559

Distribution Coefficient, logD

-2.328

Water Solubility, LogSw

-2.16

Polar Surface Area

55.183

Acid Dissociation Constant (pKa)

3.51

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

References: we are preparing a list of scientific research reports with Y044-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-0955?
Check Price and Availability of Y044-0955, 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 Y044-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-0955
  • 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 Y044-0955 available by request