V013-7635 Screening compound: methyl 2-{3-[1-(4-acetamidophenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanamido}hexanoate

V013-7635 Screening compound: methyl 2-{3-[1-(4-acetamidophenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanamido}hexanoate
V013-7635 Screening compound: methyl 2-{3-[1-(4-acetamidophenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanamido}hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7635
methyl 2-{3-[1-(4-acetamidophenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanamido}hexanoate

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

V013-7635

Molecular Formula

C28H32FN3O4 (C28 H32 FN3 O4)

Compound Name

methyl 2-{3-[1-(4-acetamidophenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanamido}hexanoate

IUPAC name

methyl 2-{3-[1-(4-acetamidophenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanamido}hexanoate

SMILES

CCCCC(C(OC)=O)NC(CCc1ccc(-c(cc2)ccc2F)n1-c(cc1)ccc1NC(C)=O)=O

InChI

InChI=1S/C28H32FN3O4/c1-4-5-6-25(28(35)36-3)31-27(34)18-16-24-15-17-26(20-7-9-21(29)10-8-20)32(24)23-13-11-22(12-14-23)30-19(2)33/h7-15,17,25H,4-6,16,18H2,1-3H3,(H,30,33)(H,31,34)/t25-/m0/s1

InChI Key

LGRRSBBZOFSPKU-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19961718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.652

Distribution Coefficient, logD

4.652

Water Solubility, LogSw

-4.34

Polar Surface Area

69.933

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V013-7635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7635?
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What is the minimum amount of V013-7635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7635
  • 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 V013-7635 available by request