C562-1712 Screening compound: 3-methyl-2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-N~1~-(1-phenylethyl)butanamide

C562-1712 Screening compound: 3-methyl-2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-N~1~-(1-phenylethyl)butanamide
C562-1712 Screening compound: 3-methyl-2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-N~1~-(1-phenylethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C562-1712
3-methyl-2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-N~1~-(1-phenylethyl)butanamide

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

C562-1712

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

3-methyl-2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-N~1~-(1-phenylethyl)butanamide

IUPAC name

n/a

SMILES

CC(C)C(C(NC(C)c1ccccc1)=O)NS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C21H25N3O5S/c1-13(2)19(20(25)22-14(3)15-8-6-5-7-9-15)23-30(27,28)16-10-11-17-18(12-16)29-21(26)24(17)4/h5-14,19,23H,1-4H3,(H,22,25)

InChI Key

BMZUDJQCTNZXIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-3.62

Polar Surface Area

88.276

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

C562-1712 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C562-1712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C562-1712?
Check Price and Availability of C562-1712, 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 C562-1712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C562-1712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C562-1712
  • 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 C562-1712 available by request