8005-5378 Screening compound: 3-({2-carboxy-2-[(4-nitrobenzoyl)amino]ethyl}disulfanyl)-2-[(4-nitrobenzoyl)amino]propanoic acid

8005-5378 Screening compound: 3-({2-carboxy-2-[(4-nitrobenzoyl)amino]ethyl}disulfanyl)-2-[(4-nitrobenzoyl)amino]propanoic acid
8005-5378 Screening compound: 3-({2-carboxy-2-[(4-nitrobenzoyl)amino]ethyl}disulfanyl)-2-[(4-nitrobenzoyl)amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5378
3-({2-carboxy-2-[(4-nitrobenzoyl)amino]ethyl}disulfanyl)-2-[(4-nitrobenzoyl)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

8005-5378

Molecular Formula

C20H18N4O10S2 (C20 H18 N4 O10 S2)

Compound Name

3-({2-carboxy-2-[(4-nitrobenzoyl)amino]ethyl}disulfanyl)-2-[(4-nitrobenzoyl)amino]propanoic acid

IUPAC name

3-({2-carboxy-2-[(4-nitrophenyl)formamido]ethyl}disulfanyl)-2-[(4-nitrophenyl)formamido]propanoic acid

SMILES

[O-][N+](c(cc1)ccc1C(NC(CSSCC(C(O)=O)NC(c(cc1)ccc1[N+]([O-])=O)=O)C(O)=O)=O)=O

InChI

InChI=1S/C20H18N4O10S2/c25-17(11-1-5-13(6-2-11)23(31)32)21-15(19(27)28)9-35-36-10-16(20(29)30)22-18(26)12-3-7-14(8-4-12)24(33)34/h1-8,15-16H,9-10H2,(H,21,25)(H,22,26)(H,27,28)(H,29,30)

InChI Key

UVYFOLWELOVJQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00820386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.52

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

0.392

Distribution Coefficient, logD

-4.014

Water Solubility, LogSw

-2.19

Polar Surface Area

172.177

Acid Dissociation Constant (pKa)

2.99

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

8005-5378 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-5378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5378?
Check Price and Availability of 8005-5378, 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 8005-5378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5378
  • 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 8005-5378 available by request