3235-0363 Screening compound: N-(1-{N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinecarbonyl}-2-methylpropyl)-2-(4-methoxybenzamido)benzamide

3235-0363 Screening compound: N-(1-{N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinecarbonyl}-2-methylpropyl)-2-(4-methoxybenzamido)benzamide
3235-0363 Screening compound: N-(1-{N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinecarbonyl}-2-methylpropyl)-2-(4-methoxybenzamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3235-0363
N-(1-{N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinecarbonyl}-2-methylpropyl)-2-(4-methoxybenzamido)benzamide

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

3235-0363

Molecular Formula

C29H29N5O5S2 (C29 H29 N5 O5 S2)

Compound Name

N-(1-{N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinecarbonyl}-2-methylpropyl)-2-(4-methoxybenzamido)benzamide

IUPAC name

N-(1-{N'-[2-(13-benzothiazol-2-ylsulfanyl)acetyl]hydrazinecarbonyl}-2-methylpropyl)-2-(4-methoxybenzamido)benzamide

SMILES

CC(C)C(C(NNC(CSc1nc(cccc2)c2s1)=O)=O)NC(c(cccc1)c1NC(c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C29H29N5O5S2/c1-17(2)25(28(38)34-33-24(35)16-40-29-31-22-10-6-7-11-23(22)41-29)32-27(37)20-8-4-5-9-21(20)30-26(36)18-12-14-19(39-3)15-13-18/h4-15,17,25H,16H2,1-3H3,(H,30,36)(H,32,37)(H,33,35)(H,34,38)/t25-/m0/s1

InChI Key

YBIAQWOPECCUQZ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02086804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

4.309

Water Solubility, LogSw

-4.24

Polar Surface Area

114.277

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with 3235-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3235-0363?
Check Price and Availability of 3235-0363, 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 3235-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3235-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3235-0363
  • 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 3235-0363 available by request