Y700-0948 Screening compound: 4-{[(1-butyl-5-oxotetrahydro-1H-pyrrol-3-yl)carbonyl]amino}benzoic acid

Y700-0948 Screening compound: 4-{[(1-butyl-5-oxotetrahydro-1H-pyrrol-3-yl)carbonyl]amino}benzoic acid
Y700-0948 Screening compound: 4-{[(1-butyl-5-oxotetrahydro-1H-pyrrol-3-yl)carbonyl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y700-0948
4-{[(1-butyl-5-oxotetrahydro-1H-pyrrol-3-yl)carbonyl]amino}benzoic 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

Y700-0948

Molecular Formula

C16H20N2O4 (C16 H20 N2 O4)

Compound Name

4-{[(1-butyl-5-oxotetrahydro-1H-pyrrol-3-yl)carbonyl]amino}benzoic acid

IUPAC name

n/a

SMILES

CCCCN(CC(C1)C(Nc(cc2)ccc2C(O)=O)=O)C1=O

InChI

InChI=1S/C16H20N2O4/c1-2-3-8-18-10-12(9-14(18)19)15(20)17-13-6-4-11(5-7-13)16(21)22/h4-7,12H,2-3,8-10H2,1H3,(H,17,20)(H,21,22)/t12-/m1/s1

InChI Key

VVRMSKUHPMVTPW-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.650

Distribution Coefficient, logD

-0.746

Water Solubility, LogSw

-2.06

Polar Surface Area

69.183

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with Y700-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y700-0948?
Check Price and Availability of Y700-0948, 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 Y700-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y700-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y700-0948
  • 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 Y700-0948 available by request