Y044-0952 Screening compound: (2R)-5-[(aminocarbonyl)amino]-2-{[3-(5-bromo-1H-indol-1-yl)propanoyl]amino}pentanoic acid

Y044-0952 Screening compound: (2R)-5-[(aminocarbonyl)amino]-2-{[3-(5-bromo-1H-indol-1-yl)propanoyl]amino}pentanoic acid
Y044-0952 Screening compound: (2R)-5-[(aminocarbonyl)amino]-2-{[3-(5-bromo-1H-indol-1-yl)propanoyl]amino}pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-0952
(2R)-5-[(aminocarbonyl)amino]-2-{[3-(5-bromo-1H-indol-1-yl)propanoyl]amino}pentanoic 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

Y044-0952

Molecular Formula

C17H21BrN4O4 (C17 H21 BrN4 O4)

Compound Name

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

IUPAC name

(2R)-2-[3-(5-bromo-1H-indol-1-yl)propanamido]-5-(carbamoylamino)pentanoic acid

SMILES

NC(NCCCC(C(O)=O)NC(CCn(cc1)c(cc2)c1cc2Br)=O)=O

InChI

InChI=1S/C17H21BrN4O4/c18-12-3-4-14-11(10-12)5-8-22(14)9-6-15(23)21-13(16(24)25)2-1-7-20-17(19)26/h3-5,8,10,13H,1-2,6-7,9H2,(H,21,23)(H,24,25)(H3,19,20,26)/t13-/m0/s1

InChI Key

WFUONICFBYYZQR-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.756

Distribution Coefficient, logD

-2.861

Water Solubility, LogSw

-1.90

Polar Surface Area

100.062

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

References: we are preparing a list of scientific research reports with Y044-0952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-0952?
Check Price and Availability of Y044-0952, 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 Y044-0952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-0952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-0952
  • 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 Y044-0952 available by request