8004-0338 Screening compound: 2-[(tert-butoxycarbonyl)amino]-3-[(3-nitro-2-pyridyl)disulfanyl]propanoic acid

8004-0338 Screening compound: 2-[(tert-butoxycarbonyl)amino]-3-[(3-nitro-2-pyridyl)disulfanyl]propanoic acid
8004-0338 Screening compound: 2-[(tert-butoxycarbonyl)amino]-3-[(3-nitro-2-pyridyl)disulfanyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0338
2-[(tert-butoxycarbonyl)amino]-3-[(3-nitro-2-pyridyl)disulfanyl]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

8004-0338

Molecular Formula

C13H17N3O6S2 (C13 H17 N3 O6 S2)

Compound Name

2-[(tert-butoxycarbonyl)amino]-3-[(3-nitro-2-pyridyl)disulfanyl]propanoic acid

IUPAC name

n/a

SMILES

CC(C)(C)OC(NC(CSSc1ncccc1[N+]([O-])=O)C(O)=O)=O

InChI

InChI=1S/C13H17N3O6S2/c1-13(2,3)22-12(19)15-8(11(17)18)7-23-24-10-9(16(20)21)5-4-6-14-10/h4-6,8H,7H2,1-3H3,(H,15,19)(H,17,18)/t8-/m0/s1

InChI Key

OVTLOLNDKQUMRH-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00736824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.196

Distribution Coefficient, logD

-1.804

Water Solubility, LogSw

-2.48

Polar Surface Area

102.412

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

8004-0338 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 8004-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0338?
Check Price and Availability of 8004-0338, 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 8004-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0338
  • 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 8004-0338 available by request